 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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            ****
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                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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                  1.9656663360          -0.25019961976
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                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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                  2.5207180000          -1.0707548832
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                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
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                 12.000000000           -1.6510077975
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
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            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895312/Gau-77004.inp" -scrdir="/scratch/9895312/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     77005.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer03_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=Water)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=1,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=1,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 19:15:11 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer03_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.793689000000      1.190620000000     -0.156518000000
  C                                                -1.551056000000     -0.043885000000      0.297824000000
  C                                                 0.701147000000      1.014971000000      0.048082000000
  C                                                 1.177559000000     -0.278556000000     -0.610962000000
  O                                                 0.413609000000     -1.380350000000     -0.114097000000
  C                                                -0.977320000000     -1.278667000000     -0.386801000000
  O                                                -1.184574000000      2.352948000000      0.567771000000
  H                                                -0.984626000000      1.341123000000     -1.226770000000
  O                                                -2.918364000000      0.149939000000     -0.034878000000
  H                                                -1.428133000000     -0.171675000000      1.379497000000
  H                                                 0.904330000000      0.955707000000      1.122720000000
  O                                                 1.423511000000      2.094539000000     -0.530836000000
  C                                                 2.632076000000     -0.601623000000     -0.321651000000
  H                                                 1.050486000000     -0.191075000000     -1.698035000000
  O                                                -1.616032000000     -2.396870000000      0.142258000000
  H                                                -1.127036000000     -1.213485000000     -1.473057000000
  H                                                -2.124319000000      2.502750000000      0.407364000000
  H                                                -3.417093000000     -0.607125000000      0.296117000000
  H                                                 1.024823000000      2.912014000000     -0.206129000000
  O                                                 2.884080000000     -0.778209000000      1.067370000000
  H                                                 3.258652000000      0.223337000000     -0.656086000000
  H                                                 2.907826000000     -1.499825000000     -0.883641000000
  H                                                -1.489093000000     -3.149228000000     -0.448500000000
  H                                                 2.274041000000     -1.455654000000      1.385972000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Mar 16 19:15:11 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.793689    1.190620   -0.156518
      2          6           0       -1.551056   -0.043885    0.297824
      3          6           0        0.701147    1.014971    0.048082
      4          6           0        1.177559   -0.278556   -0.610962
      5          8           0        0.413609   -1.380350   -0.114097
      6          6           0       -0.977320   -1.278667   -0.386801
      7          8           0       -1.184574    2.352948    0.567771
      8          1           0       -0.984626    1.341123   -1.226770
      9          8           0       -2.918364    0.149939   -0.034878
     10          1           0       -1.428133   -0.171675    1.379497
     11          1           0        0.904330    0.955707    1.122720
     12          8           0        1.423511    2.094539   -0.530836
     13          6           0        2.632076   -0.601623   -0.321651
     14          1           0        1.050486   -0.191075   -1.698035
     15          8           0       -1.616032   -2.396870    0.142258
     16          1           0       -1.127036   -1.213485   -1.473057
     17          1           0       -2.124319    2.502750    0.407364
     18          1           0       -3.417093   -0.607125    0.296117
     19          1           0        1.024823    2.912014   -0.206129
     20          8           0        2.884080   -0.778209    1.067370
     21          1           0        3.258652    0.223337   -0.656086
     22          1           0        2.907826   -1.499825   -0.883641
     23          1           0       -1.489093   -3.149228   -0.448500
     24          1           0        2.274041   -1.455654    1.385972
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.517904   0.000000
     3  C    1.518963   2.501193   0.000000
     4  C    2.500163   2.885533   1.527913   0.000000
     5  O    2.840643   2.411582   2.417963   1.429841   0.000000
     6  C    2.486791   1.523998   2.875265   2.386205   1.421053
     7  O    1.424216   2.439670   2.369853   3.727452   4.117845
     8  H    1.097519   2.136230   2.138563   2.770852   3.255690
     9  O    2.368978   1.420489   3.722368   4.158373   3.667438
    10  H    2.148886   1.096110   2.777522   3.280698   2.661528
    11  H    2.138902   2.776429   1.095282   2.145626   2.688436
    12  O    2.423460   3.756006   1.422119   2.387152   3.642585
    13  C    3.869789   4.265374   2.545303   1.517792   2.360316
    14  H    2.772424   3.282246   2.150700   1.097965   2.080588
    15  O    3.692641   2.359017   4.125390   3.585909   2.284398
    16  H    2.761180   2.164203   3.259161   2.632196   2.061117
    17  H    1.951980   2.612658   3.213383   4.435657   4.668133
    18  H    3.212322   1.949189   4.433127   4.694846   3.929431
    19  H    2.504525   3.953032   1.941175   3.219776   4.336639
    20  O    4.347433   4.560906   3.003271   2.445131   2.803866
    21  H    4.196031   4.910666   2.768279   2.141233   3.310564
    22  H    4.633402   4.837070   3.473001   2.135340   2.612966
    23  H    4.404897   3.194369   4.731205   3.921503   2.619357
    24  H    4.335090   4.220015   3.219927   2.564289   2.391043
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.760690   0.000000
     8  H    2.751164   2.069818   0.000000
     9  O    2.435655   2.867484   2.564931   0.000000
    10  H    2.132715   2.663070   3.045962   2.079587   0.000000
    11  H    3.288113   2.573669   3.039211   4.074590   2.603326
    12  O    4.142856   2.841799   2.617457   4.783233   4.113025
    13  C    3.672924   4.907889   4.204050   5.608428   4.423128
    14  H    2.648431   4.074484   2.590637   4.316729   3.951599
    15  O    1.392205   4.788318   4.030571   2.865952   2.552951
    16  H    1.098461   4.109469   2.570401   2.671355   3.051736
    17  H    4.030561   0.965035   2.306224   2.522262   2.929551
    18  H    2.621038   3.717522   3.468681   0.965108   2.306359
    19  H    4.647906   2.406847   2.747233   4.817376   4.247392
    20  O    4.156378   5.158264   4.972075   5.978693   4.365832
    21  H    4.502443   5.076941   4.424990   6.208608   5.124996
    22  H    3.923024   5.805015   4.831139   6.114459   5.068167
    23  H    1.940288   5.603524   4.585133   3.619171   3.494440
    24  H    3.707479   5.209311   5.026658   5.617634   3.918512
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.073821   0.000000
    13  C    2.737990   2.962039   0.000000
    14  H    3.048463   2.593363   2.136448   0.000000
    15  O    4.307355   5.464854   4.635142   3.919506   0.000000
    16  H    3.945871   4.282066   3.978823   2.416100   2.061252
    17  H    3.475312   3.692418   5.726420   4.665703   4.933043
    18  H    4.669091   5.604845   6.080634   4.910092   2.543753
    19  H    2.368015   0.965739   3.865521   3.443197   5.939675
    20  O    2.632288   3.597250   1.422697   3.369608   4.871027
    21  H    3.040288   2.623895   1.088579   2.476569   5.591546
    22  H    3.750882   3.904755   1.094823   2.413664   4.724664
    23  H    5.004767   5.998928   4.846691   4.094077   0.964962
    24  H    2.785691   4.123278   1.942559   3.550682   4.191107
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.282635   0.000000
    18  H    2.956689   3.369713   0.000000
    19  H    4.822380   3.234342   5.689219   0.000000
    20  O    4.767839   6.023650   6.350503   4.323931   0.000000
    21  H    4.686807   5.941635   6.794257   3.524406   2.028226
    22  H    4.087727   6.558184   6.495640   4.844486   2.080321
    23  H    2.219888   5.751597   3.276267   6.566367   5.200407
    24  H    4.449721   5.997683   5.856346   4.813715   0.965705
                   21         22         23         24
    21  H    0.000000
    22  H    1.773174   0.000000
    23  H    5.827381   4.716225   0.000000
    24  H    2.821076   2.356858   4.516044   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.68D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.793689    1.190620   -0.156518
      2          6           0       -1.551056   -0.043885    0.297824
      3          6           0        0.701147    1.014971    0.048082
      4          6           0        1.177559   -0.278556   -0.610962
      5          8           0        0.413609   -1.380350   -0.114097
      6          6           0       -0.977320   -1.278667   -0.386801
      7          8           0       -1.184574    2.352948    0.567771
      8          1           0       -0.984626    1.341123   -1.226770
      9          8           0       -2.918364    0.149939   -0.034878
     10          1           0       -1.428133   -0.171675    1.379497
     11          1           0        0.904330    0.955707    1.122720
     12          8           0        1.423511    2.094539   -0.530836
     13          6           0        2.632076   -0.601623   -0.321651
     14          1           0        1.050486   -0.191075   -1.698035
     15          8           0       -1.616032   -2.396870    0.142258
     16          1           0       -1.127036   -1.213485   -1.473057
     17          1           0       -2.124319    2.502750    0.407364
     18          1           0       -3.417093   -0.607125    0.296117
     19          1           0        1.024823    2.912014   -0.206129
     20          8           0        2.884080   -0.778209    1.067370
     21          1           0        3.258652    0.223337   -0.656086
     22          1           0        2.907826   -1.499825   -0.883641
     23          1           0       -1.489093   -3.149228   -0.448500
     24          1           0        2.274041   -1.455654    1.385972
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1749284           0.8108640           0.5309125
 Leave Link  202 at Wed Mar 16 19:15:11 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   378 symmetry adapted cartesian basis functions of A   symmetry.
 There are   354 symmetry adapted basis functions of A   symmetry.
   354 basis functions,   522 primitive gaussians,   378 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       830.9961288856 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0393371428 Hartrees.
 Nuclear repulsion after empirical dispersion term =      830.9567917428 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   24.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : Water, Eps=  78.355300 Eps(inf)=   1.777849
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      24
 GePol: Total number of spheres                      =      24
 GePol: Number of exposed spheres                    =      24 (100.00%)
 GePol: Number of points                             =    1728
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.19D-11
 GePol: Maximum weight of points                     =    0.20322
 GePol: Number of points with low weight             =     119
 GePol: Fraction of low-weight points (<1% of avg)   =       6.89%
 GePol: Cavity surface area                          =    226.800 Ang**2
 GePol: Cavity volume                                =    233.402 Ang**3
 Leave Link  301 at Wed Mar 16 19:15:12 2022, MaxMem=  5368709120 cpu:               4.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   354 RedAO= T EigKep=  2.38D-05  NBF=   354
 NBsUse=   354 1.00D-06 EigRej= -1.00D+00 NBFU=   354
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   377   377   377   377   377 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Wed Mar 16 19:15:12 2022, MaxMem=  5368709120 cpu:               2.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 19:15:12 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer03_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 19:15:13 2022, MaxMem=  5368709120 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368416640 LenY=  5368273315
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8957952.
 Iteration    1 A*A^-1 deviation from unit magnitude is 4.77D-15 for   1060.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.94D-15 for   1696    240.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.77D-15 for   1060.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.69D-15 for   1357    761.
 E= -686.778493111312    
 DIIS: error= 2.82D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.778493111312     IErMin= 1 ErrMin= 2.82D-03
 ErrMax= 2.82D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-02 BMatP= 1.64D-02
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.82D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.301 Goal=   None    Shift=    0.000
 GapD=    0.301 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.31D-03 MaxDP=3.47D-01              OVMax= 1.80D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.27D-03    CP:  1.03D+00
 E= -686.793690326623     Delta-E=       -0.015197215311 Rises=F Damp=F
 DIIS: error= 6.71D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -686.793690326623     IErMin= 2 ErrMin= 6.71D-04
 ErrMax= 6.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-03 BMatP= 1.64D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.71D-03
 Coeff-Com:  0.947D-01 0.905D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.941D-01 0.906D+00
 Gap=     0.291 Goal=   None    Shift=    0.000
 RMSDP=3.41D-04 MaxDP=1.70D-02 DE=-1.52D-02 OVMax= 8.05D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.81D-04    CP:  1.04D+00  1.03D+00
 E= -686.793302438264     Delta-E=        0.000387888358 Rises=F Damp=F
 DIIS: error= 8.38D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -686.793690326623     IErMin= 2 ErrMin= 6.71D-04
 ErrMax= 8.38D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-03 BMatP= 1.26D-03
 IDIUse=3 WtCom= 2.57D-01 WtEn= 7.43D-01
 Coeff-Com: -0.190D-01 0.558D+00 0.461D+00
 Coeff-En:   0.000D+00 0.573D+00 0.427D+00
 Coeff:     -0.487D-02 0.569D+00 0.436D+00
 Gap=     0.287 Goal=   None    Shift=    0.000
 RMSDP=1.56D-04 MaxDP=7.23D-03 DE= 3.88D-04 OVMax= 4.48D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.26D-04    CP:  1.04D+00  1.04D+00  7.23D-01
 E= -686.794672420379     Delta-E=       -0.001369982115 Rises=F Damp=F
 DIIS: error= 1.16D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -686.794672420379     IErMin= 4 ErrMin= 1.16D-04
 ErrMax= 1.16D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-05 BMatP= 1.26D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.16D-03
 Coeff-Com: -0.117D-01 0.265D+00 0.215D+00 0.532D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.116D-01 0.264D+00 0.215D+00 0.532D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=3.70D-05 MaxDP=1.65D-03 DE=-1.37D-03 OVMax= 5.95D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.39D-05    CP:  1.04D+00  1.04D+00  7.12D-01  9.58D-01
 E= -686.794688863348     Delta-E=       -0.000016442969 Rises=F Damp=F
 DIIS: error= 2.34D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -686.794688863348     IErMin= 5 ErrMin= 2.34D-05
 ErrMax= 2.34D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.05D-07 BMatP= 1.76D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.139D-02 0.152D-01 0.127D-01 0.159D+00 0.814D+00
 Coeff:     -0.139D-02 0.152D-01 0.127D-01 0.159D+00 0.814D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=8.58D-06 MaxDP=3.69D-04 DE=-1.64D-05 OVMax= 1.36D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.12D-06    CP:  1.04D+00  1.04D+00  7.27D-01  9.91D-01  9.26D-01
 E= -686.794689465171     Delta-E=       -0.000000601823 Rises=F Damp=F
 DIIS: error= 5.12D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -686.794689465171     IErMin= 6 ErrMin= 5.12D-06
 ErrMax= 5.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.19D-08 BMatP= 6.05D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.509D-04-0.500D-02-0.396D-02 0.363D-01 0.317D+00 0.655D+00
 Coeff:     -0.509D-04-0.500D-02-0.396D-02 0.363D-01 0.317D+00 0.655D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=1.96D-06 MaxDP=6.02D-05 DE=-6.02D-07 OVMax= 3.88D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.41D-06    CP:  1.04D+00  1.04D+00  7.27D-01  9.96D-01  9.49D-01
                    CP:  8.17D-01
 E= -686.794689500262     Delta-E=       -0.000000035091 Rises=F Damp=F
 DIIS: error= 3.30D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -686.794689500262     IErMin= 7 ErrMin= 3.30D-06
 ErrMax= 3.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-08 BMatP= 5.19D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.117D-03-0.426D-02-0.348D-02 0.348D-02 0.958D-01 0.372D+00
 Coeff-Com:  0.536D+00
 Coeff:      0.117D-03-0.426D-02-0.348D-02 0.348D-02 0.958D-01 0.372D+00
 Coeff:      0.536D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=5.65D-07 MaxDP=2.02D-05 DE=-3.51D-08 OVMax= 1.67D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.77D-07    CP:  1.04D+00  1.04D+00  7.27D-01  9.97D-01  9.53D-01
                    CP:  8.31D-01  8.78D-01
 E= -686.794689509880     Delta-E=       -0.000000009618 Rises=F Damp=F
 DIIS: error= 5.00D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -686.794689509880     IErMin= 8 ErrMin= 5.00D-07
 ErrMax= 5.00D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.28D-10 BMatP= 1.31D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.496D-04-0.146D-02-0.122D-02-0.912D-03 0.214D-01 0.121D+00
 Coeff-Com:  0.232D+00 0.628D+00
 Coeff:      0.496D-04-0.146D-02-0.122D-02-0.912D-03 0.214D-01 0.121D+00
 Coeff:      0.232D+00 0.628D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=1.62D-07 MaxDP=4.58D-06 DE=-9.62D-09 OVMax= 3.82D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.35D-07    CP:  1.04D+00  1.04D+00  7.27D-01  9.98D-01  9.52D-01
                    CP:  8.41D-01  8.67D-01  9.15D-01
 E= -686.794689510177     Delta-E=       -0.000000000297 Rises=F Damp=F
 DIIS: error= 1.61D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -686.794689510177     IErMin= 9 ErrMin= 1.61D-07
 ErrMax= 1.61D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.67D-11 BMatP= 4.28D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.954D-05-0.172D-03-0.155D-03-0.913D-03-0.154D-02 0.122D-01
 Coeff-Com:  0.451D-01 0.304D+00 0.641D+00
 Coeff:      0.954D-05-0.172D-03-0.155D-03-0.913D-03-0.154D-02 0.122D-01
 Coeff:      0.451D-01 0.304D+00 0.641D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=5.20D-08 MaxDP=1.69D-06 DE=-2.97D-10 OVMax= 1.23D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.36D-08    CP:  1.04D+00  1.04D+00  7.27D-01  9.98D-01  9.52D-01
                    CP:  8.44D-01  8.74D-01  9.18D-01  8.72D-01
 E= -686.794689510216     Delta-E=       -0.000000000038 Rises=F Damp=F
 DIIS: error= 4.70D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -686.794689510216     IErMin=10 ErrMin= 4.70D-08
 ErrMax= 4.70D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-12 BMatP= 5.67D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.747D-06 0.222D-04 0.152D-04-0.345D-03-0.212D-02-0.268D-02
 Coeff-Com:  0.438D-02 0.876D-01 0.266D+00 0.648D+00
 Coeff:      0.747D-06 0.222D-04 0.152D-04-0.345D-03-0.212D-02-0.268D-02
 Coeff:      0.438D-02 0.876D-01 0.266D+00 0.648D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=1.45D-08 MaxDP=4.66D-07 DE=-3.84D-11 OVMax= 3.60D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.93D-09    CP:  1.04D+00  1.04D+00  7.27D-01  9.98D-01  9.52D-01
                    CP:  8.43D-01  8.78D-01  9.26D-01  8.80D-01  8.51D-01
 E= -686.794689510223     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 1.76D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -686.794689510223     IErMin=11 ErrMin= 1.76D-08
 ErrMax= 1.76D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.41D-13 BMatP= 2.73D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.208D-06 0.252D-04 0.204D-04-0.135D-03-0.113D-02-0.258D-02
 Coeff-Com: -0.110D-02 0.277D-01 0.107D+00 0.398D+00 0.472D+00
 Coeff:     -0.208D-06 0.252D-04 0.204D-04-0.135D-03-0.113D-02-0.258D-02
 Coeff:     -0.110D-02 0.277D-01 0.107D+00 0.398D+00 0.472D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=3.84D-09 MaxDP=1.46D-07 DE=-7.50D-12 OVMax= 1.51D-07

 Error on total polarization charges =  0.01552
 SCF Done:  E(RB3LYP) =  -686.794689510     A.U. after   11 cycles
            NFock= 11  Conv=0.38D-08     -V/T= 2.0094
 KE= 6.803974031265D+02 PE=-3.270742637560D+03 EE= 1.072593753181D+03
 Leave Link  502 at Wed Mar 16 19:17:10 2022, MaxMem=  5368709120 cpu:             935.2 elap:             117.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   354
 NBasis=   354 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    354 NOA=    48 NOB=    48 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.45761974D+02

 Leave Link  801 at Wed Mar 16 19:17:10 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=  78.3553, EpsInf=   1.7778)
 Inv3:  Mode=1 IEnd=     8957952.
 Iteration    1 A*A^-1 deviation from unit magnitude is 4.77D-15 for   1060.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.94D-15 for   1696    240.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.77D-15 for   1060.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.69D-15 for   1357    761.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7279 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.45D-13 8.33D-09 XBig12= 1.00D+00 2.11D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.45D-13 8.33D-09 XBig12= 1.61D-01 5.39D-02.
     11 vectors produced by pass  2 Test12= 2.45D-13 8.33D-09 XBig12= 4.42D-02 2.56D-02.
     11 vectors produced by pass  3 Test12= 2.45D-13 8.33D-09 XBig12= 3.83D-03 8.78D-03.
     11 vectors produced by pass  4 Test12= 2.45D-13 8.33D-09 XBig12= 7.95D-04 3.07D-03.
     11 vectors produced by pass  5 Test12= 2.45D-13 8.33D-09 XBig12= 4.12D-05 9.51D-04.
     11 vectors produced by pass  6 Test12= 2.45D-13 8.33D-09 XBig12= 9.29D-07 1.23D-04.
     11 vectors produced by pass  7 Test12= 2.45D-13 8.33D-09 XBig12= 3.30D-08 2.13D-05.
     11 vectors produced by pass  8 Test12= 2.45D-13 8.33D-09 XBig12= 7.80D-10 3.34D-06.
      8 vectors produced by pass  9 Test12= 2.45D-13 8.33D-09 XBig12= 1.17D-11 3.19D-07.
      1 vectors produced by pass 10 Test12= 2.45D-13 8.33D-09 XBig12= 1.32D-13 3.05D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.121763D+03
      2  0.164302D+01  0.114765D+03
      3 -0.146522D+01 -0.315180D+00  0.991915D+02
 Isotropic polarizability for W=    0.088559      111.91 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.210140D+02 -0.143598D+02  0.102719D+02
      2  -0.240366D+02  0.136927D+02  0.882963D+01
      3   0.302262D+01  0.667050D+00 -0.191015D+02
      4  -0.117181D+02 -0.831857D+01 -0.109071D+02
      5  -0.940282D+01 -0.997844D+01  0.315302D+02
      6  -0.817011D+01 -0.937130D+01 -0.304357D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.179760D+01 -0.942817D+01 -0.138197D+01
      2   0.119003D+02 -0.328900D+01  0.151374D+02
      3   0.178385D+01 -0.902466D+01  0.153040D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.928672D+00 -0.182009D+02  0.371062D+01
      2   0.196747D+02 -0.273700D+01  0.285076D+02
      3   0.264163D+01 -0.157180D+02  0.180832D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.647135D+00 -0.433807D+00  0.693560D+00
      2  -0.433807D+00  0.979751D+00  0.705221D-01
      3   0.693560D+00  0.705221D-01 -0.293619D+00
 OR G Eigenvalues:    -1.2536     0.1957     1.0970  Iso=    -0.0130
 Eigenvectors:
   (1)   0.792406   0.172390  -0.585127
   (2)   0.545431   0.229257   0.806192
   (3)  -0.273124   0.957978  -0.087638
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0130 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       -3.66 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   62835 ScalPx= 4.07D+01
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     192
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.13D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.08D-14 2.78D-09 XBig12= 1.00D+00 3.61D-01.
     30 vectors produced by pass  1 Test12= 4.08D-14 2.78D-09 XBig12= 9.73D-02 2.71D-02.
     30 vectors produced by pass  2 Test12= 4.08D-14 2.78D-09 XBig12= 2.23D-03 5.55D-03.
     30 vectors produced by pass  3 Test12= 4.08D-14 2.78D-09 XBig12= 3.70D-05 5.17D-04.
     30 vectors produced by pass  4 Test12= 4.08D-14 2.78D-09 XBig12= 3.29D-07 5.23D-05.
     30 vectors produced by pass  5 Test12= 4.08D-14 2.78D-09 XBig12= 1.21D-09 2.99D-06.
     30 vectors produced by pass  6 Test12= 4.08D-14 2.78D-09 XBig12= 3.45D-12 1.52D-07.
     13 vectors produced by pass  7 Test12= 4.08D-14 2.78D-09 XBig12= 1.05D-14 1.01D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   223 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.56D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.56D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.03D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.121763D+03  0.164302D+01 -0.146522D+01
      2   0.164302D+01  0.114765D+03 -0.315180D+00
      3  -0.146522D+01 -0.315180D+00  0.991915D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.179760D+01 -0.942817D+01 -0.138197D+01
      2   0.119003D+02 -0.328900D+01  0.151374D+02
      3   0.178385D+01 -0.902466D+01  0.153040D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.210140D+02 -0.143598D+02  0.102719D+02
      2  -0.240366D+02  0.136927D+02  0.882963D+01
      3   0.302262D+01  0.667050D+00 -0.191015D+02
      4  -0.117181D+02 -0.831857D+01 -0.109071D+02
      5  -0.940282D+01 -0.997844D+01  0.315302D+02
      6  -0.817011D+01 -0.937130D+01 -0.304357D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.410845D+01  0.664857D+00  0.957851D-01 -0.344890D+00  0.352025D+01
      2   0.664857D+00  0.419001D+01  0.181251D+00  0.352025D+01 -0.235986D+01
      3   0.957851D-01  0.181251D+00  0.138102D+01  0.669304D+00 -0.183812D+01
                 6             7             8             9            10 
      1   0.669304D+00 -0.432152D+00  0.502567D+00  0.198941D+01  0.606336D+01
      2  -0.183812D+01  0.502567D+00 -0.335159D+01 -0.210925D+01 -0.110957D+01
      3  -0.545924D+00  0.198941D+01 -0.210925D+01  0.104645D+02  0.204144D+00
                11            12            13            14            15 
      1  -0.110957D+01  0.204144D+00 -0.136643D+01 -0.336290D+01 -0.252444D+00
      2  -0.304100D+01 -0.524183D-01 -0.336290D+01 -0.338183D+00  0.105535D+01
      3  -0.524183D-01 -0.325517D+01 -0.252444D+00  0.105535D+01  0.197118D+01
                16            17            18            19            20 
      1   0.160773D+01 -0.483101D+00 -0.176931D+01  0.336553D+01 -0.734157D+00
      2  -0.483101D+00  0.199099D+01  0.129704D+01 -0.734157D+00 -0.363943D+01
      3  -0.176931D+01  0.129704D+01 -0.101138D+02  0.685329D-01  0.608216D+00
                21            22            23            24            25 
      1   0.685329D-01 -0.131261D+01 -0.487017D+01  0.307876D+00  0.939199D+00
      2   0.608216D+00 -0.487017D+01  0.843265D+00  0.196829D+01  0.814976D+00
      3  -0.120736D+01  0.307876D+00  0.196829D+01  0.203849D+01 -0.206454D+01
                26            27            28            29            30 
      1   0.814976D+00 -0.206454D+01 -0.176110D+01  0.259704D+01 -0.570129D+00
      2   0.293431D+01  0.126325D+01  0.259704D+01  0.333433D+01 -0.305300D+00
      3   0.126325D+01 -0.979846D+01 -0.570129D+00 -0.305300D+00  0.672390D+00
                31            32            33            34            35 
      1   0.304880D+01  0.455292D+01  0.806460D+00 -0.253923D+01  0.439848D+00
      2   0.455292D+01 -0.143701D+01 -0.213468D+01  0.439848D+00 -0.297937D+01
      3   0.806460D+00 -0.213468D+01 -0.213002D+01  0.564224D+00 -0.791508D+00
                36            37            38            39            40 
      1   0.564224D+00  0.651607D+01 -0.204941D+01 -0.409825D+00 -0.398945D+01
      2  -0.791508D+00 -0.204941D+01  0.145378D+00 -0.432681D+00 -0.121255D+01
      3   0.982898D+01 -0.409825D+00 -0.432681D+00 -0.514650D+00 -0.303389D+00
                41            42            43            44            45 
      1  -0.121255D+01 -0.303389D+00  0.305170D+01  0.688983D+00  0.166395D+00
      2  -0.458558D+01  0.899041D+00  0.688983D+00  0.191926D+01 -0.692994D+00
      3   0.899041D+00  0.102888D+01  0.166395D+00 -0.692994D+00 -0.146397D+01
                46            47            48            49            50 
      1  -0.613144D+01 -0.713167D+00  0.484510D+00  0.175462D+01  0.308829D+01
      2  -0.713167D+00  0.953714D+00  0.790138D+00  0.308829D+01 -0.797749D+00
      3   0.484510D+00  0.790138D+00  0.168386D+01 -0.252982D+00 -0.128191D+01
                51            52            53            54            55 
      1  -0.252982D+00 -0.117637D+01 -0.356481D-02  0.229406D+01  0.599041D+01
      2  -0.128191D+01 -0.356481D-02 -0.232885D+01 -0.612691D+00 -0.477844D+00
      3  -0.270860D+01  0.229406D+01 -0.612691D+00  0.994878D+01  0.977723D+00
                56            57            58            59            60 
      1  -0.477844D+00  0.977723D+00  0.407571D+00 -0.141429D+01 -0.517790D+00
      2   0.917514D+00  0.145542D+00 -0.141429D+01  0.799852D+01  0.216816D+01
      3   0.145542D+00  0.813844D+00 -0.517790D+00  0.216816D+01 -0.142072D+00
                61            62            63            64            65 
      1   0.220291D+01 -0.119460D+01 -0.968032D+00 -0.162185D+00  0.290332D-01
      2  -0.119460D+01  0.380219D+01  0.243018D+01  0.290332D-01 -0.111686D+01
      3  -0.968032D+00  0.243018D+01  0.655902D+00 -0.134245D+01  0.187162D+00
                66            67            68            69            70 
      1  -0.134245D+01  0.314654D+00 -0.878810D+00  0.146105D+00 -0.245509D+01
      2   0.187162D+00 -0.878810D+00  0.983134D+00 -0.119519D+01  0.362290D+00
      3  -0.110550D+01  0.146105D+00 -0.119519D+01  0.972887D+00 -0.126970D+01
                71            72            73            74            75 
      1   0.362290D+00 -0.126970D+01 -0.792480D+01  0.287899D+01 -0.417884D+00
      2  -0.217002D+01  0.138073D+01  0.287899D+01  0.122288D+01 -0.793267D+00
      3   0.138073D+01 -0.901805D+01 -0.417884D+00 -0.793267D+00  0.147066D+01
                76            77            78            79            80 
      1   0.602807D+01  0.429854D+00 -0.896731D+00 -0.350432D+01 -0.863883D+00
      2   0.429854D+00  0.406615D+01 -0.129401D+01 -0.863883D+00 -0.191232D+01
      3  -0.896731D+00 -0.129401D+01  0.842218D+00 -0.108637D+01  0.452284D+00
                81            82            83            84            85 
      1  -0.108637D+01 -0.217128D+00  0.771562D-01  0.133531D+01 -0.113957D+00
      2   0.452284D+00  0.771562D-01  0.719033D+00 -0.234954D-01  0.710243D+00
      3  -0.970725D-01  0.133531D+01 -0.234954D-01  0.961831D+00 -0.345834D-01
                86            87            88            89            90 
      1   0.710243D+00 -0.345834D-01  0.229616D+01  0.130335D+00  0.154895D+00
      2  -0.575207D+00  0.104470D+01  0.130335D+00  0.189653D+01 -0.805201D+00
      3   0.104470D+01 -0.111452D+01  0.154895D+00 -0.805201D+00  0.969660D+01
                91            92            93            94            95 
      1   0.538668D+00 -0.245960D+00  0.134507D+01 -0.891593D-02  0.114480D+01
      2  -0.245960D+00  0.123759D+01 -0.561346D-02  0.114480D+01 -0.445823D+00
      3   0.134507D+01 -0.561346D-02  0.102233D+01  0.259669D-01  0.972922D+00
                96            97            98            99           100 
      1   0.259669D-01  0.259126D+01 -0.243568D+00  0.145444D+01  0.495722D+01
      2   0.972922D+00 -0.243568D+00  0.208423D+01 -0.137122D+00  0.248596D+01
      3  -0.201729D+00  0.145444D+01 -0.137122D+00  0.878693D+01 -0.144713D+01
               101           102           103           104           105 
      1   0.248596D+01 -0.144713D+01  0.907206D+00  0.442688D+01  0.607227D-02
      2   0.525025D+01  0.366240D-01  0.442688D+01 -0.843729D+00 -0.205571D+01
      3   0.366240D-01  0.576422D+00  0.607227D-02 -0.205571D+01 -0.150527D+01
               106           107           108           109           110 
      1  -0.213330D+01 -0.758262D+00  0.177010D+01  0.255416D+01 -0.284348D+01
      2  -0.758262D+00 -0.415490D+01  0.980257D+00 -0.284348D+01 -0.295529D+01
      3   0.177010D+01  0.980257D+00 -0.647481D+00  0.167560D+01  0.111371D+00
               111           112           113           114           115 
      1   0.167560D+01 -0.229720D+01 -0.523037D+01 -0.325073D+00  0.283650D+01
      2   0.111371D+00 -0.523037D+01  0.203834D+01  0.494939D+01 -0.571386D+00
      3  -0.900236D+00 -0.325073D+00  0.494939D+01  0.213932D+01 -0.439826D+01
               116           117           118           119           120 
      1  -0.571386D+00 -0.439826D+01  0.375012D+00 -0.247527D+00 -0.157377D+01
      2   0.501800D+01  0.292463D+01 -0.247527D+00 -0.567825D+00  0.755371D-01
      3   0.292463D+01 -0.102606D+01 -0.157377D+01  0.755371D-01 -0.411232D+00
               121           122           123           124           125 
      1  -0.207912D+00 -0.537489D+00 -0.262953D+00 -0.234501D+01 -0.332336D+00
      2  -0.537489D+00  0.678554D+00 -0.119727D+01 -0.332336D+00 -0.166473D+01
      3  -0.262953D+00 -0.119727D+01  0.648772D+00  0.552586D+00  0.458118D+00
               126           127           128           129           130 
      1   0.552586D+00 -0.287650D+01 -0.229114D+01  0.940746D+00 -0.165210D+01
      2   0.458118D+00 -0.229114D+01 -0.244938D+01 -0.683250D-01 -0.216708D+01
      3  -0.104968D+02  0.940746D+00 -0.683250D-01 -0.169484D+00  0.156304D+00
               131           132           133           134           135 
      1  -0.216708D+01  0.156304D+00  0.236472D+01  0.855861D+00 -0.128522D+01
      2   0.157395D+01  0.305100D+01  0.855861D+00  0.660985D+01  0.871342D-01
      3   0.305100D+01  0.202109D+01 -0.128522D+01  0.871342D-01  0.140645D+01
               136           137           138           139           140 
      1  -0.455158D+00 -0.945679D-01 -0.160037D+01 -0.859098D-01 -0.740846D+00
      2  -0.945679D-01 -0.451733D+00 -0.379475D+00 -0.740846D+00  0.291548D-01
      3  -0.160037D+01 -0.379475D+00 -0.109553D+01  0.936968D-01 -0.103969D+01
               141           142           143           144           145 
      1   0.936968D-01 -0.290306D+01 -0.581797D+00 -0.179664D+01 -0.830126D+01
      2  -0.103969D+01 -0.581797D+00 -0.173995D+01 -0.602008D+00  0.337358D+01
      3   0.490021D+00 -0.179664D+01 -0.602008D+00 -0.944260D+01  0.257970D+00
               146           147           148           149           150 
      1   0.337358D+01  0.257970D+00  0.223640D+01 -0.155152D+01 -0.137674D+00
      2  -0.380668D+01 -0.486155D+00 -0.155152D+01  0.171137D+01  0.275704D-01
      3  -0.486155D+00 -0.153857D+01 -0.137674D+00  0.275704D-01  0.764568D+00
               151           152           153           154           155 
      1  -0.834271D+00  0.275837D+00 -0.543560D+00 -0.564424D+01 -0.254804D+01
      2   0.275837D+00 -0.405653D+00  0.409760D+00 -0.254804D+01 -0.256897D+01
      3  -0.543560D+00  0.409760D+00  0.343373D+00  0.814635D+00  0.596920D+00
               156           157           158           159           160 
      1   0.814635D+00 -0.508594D+01 -0.266782D+01  0.832993D+00  0.214213D+01
      2   0.596920D+00 -0.266782D+01 -0.359263D+01  0.853134D+00  0.111412D+01
      3  -0.146675D+01  0.832993D+00  0.853134D+00 -0.114749D+01 -0.110472D+01
               161           162           163           164           165 
      1   0.111412D+01 -0.110472D+01 -0.102023D+01  0.647055D+00  0.428964D+00
      2   0.136000D+01 -0.613971D+00  0.647055D+00 -0.230344D+01 -0.219050D+00
      3  -0.613971D+00  0.633882D+00  0.428964D+00 -0.219050D+00 -0.283637D+00
               166           167           168           169           170 
      1   0.207689D+01 -0.115287D+00 -0.294747D+00  0.769587D+00 -0.110600D+00
      2  -0.115287D+00  0.898486D+01  0.767307D+00 -0.110600D+00  0.215760D+01
      3  -0.294747D+00  0.767307D+00  0.176181D+01 -0.132227D+00  0.899645D+00
               171           172           173           174           175 
      1  -0.132227D+00  0.440181D+01  0.101384D+01  0.183740D+01  0.221876D+01
      2   0.899645D+00  0.101384D+01  0.236396D+01 -0.134501D+01  0.233249D+01
      3   0.247415D+00  0.183740D+01 -0.134501D+01  0.260275D+01 -0.652849D+00
               176           177           178           179           180 
      1   0.233249D+01 -0.652849D+00  0.155385D+01 -0.893870D+00  0.430117D+01
      2   0.190270D+01 -0.901608D-01 -0.893870D+00 -0.101905D+01 -0.835913D+00
      3  -0.901608D-01  0.189309D+01  0.430117D+01 -0.835913D+00  0.393981D+01
               181           182           183           184           185 
      1   0.493017D+01  0.273782D+01 -0.152541D+01  0.450830D+01  0.278162D+01
      2   0.273782D+01  0.228742D+01 -0.603670D+00  0.278162D+01  0.391306D+01
      3  -0.152541D+01 -0.603670D+00  0.144768D+01 -0.904015D+00 -0.179639D+01
               186           187           188           189           190 
      1  -0.904015D+00 -0.194796D+01 -0.586905D+00  0.173435D+01  0.179504D+01
      2  -0.179639D+01 -0.586905D+00 -0.151376D+01  0.990524D+00 -0.149358D+01
      3   0.156550D+01  0.173435D+01  0.990524D+00 -0.119406D+01 -0.160919D+01
               191           192           193           194           195 
      1  -0.149358D+01 -0.160919D+01 -0.305145D+01  0.353619D+01  0.145086D+01
      2   0.163702D+01  0.665427D+00  0.353619D+01 -0.658035D+01 -0.348399D+01
      3   0.665427D+00  0.103491D+01  0.145086D+01 -0.348399D+01 -0.369169D+01
               196           197           198           199           200 
      1  -0.236065D+01  0.139680D+01  0.200034D+01 -0.322088D+00 -0.605803D+00
      2   0.139680D+01 -0.313007D+01 -0.292291D+01 -0.605803D+00  0.566174D+00
      3   0.200034D+01 -0.292291D+01 -0.376299D+01 -0.249973D+00  0.229631D+00
               201           202           203           204           205 
      1  -0.249973D+00 -0.148626D+01 -0.814338D+00 -0.461539D-01 -0.871555D+00
      2   0.229631D+00 -0.814338D+00 -0.984052D+01 -0.218445D+01 -0.373060D+00
      3   0.109566D+00 -0.461539D-01 -0.218445D+01 -0.229346D+01 -0.120228D+00
               206           207           208           209           210 
      1  -0.373060D+00 -0.120228D+00 -0.256284D+01 -0.105109D+01  0.279729D+00
      2  -0.535401D+01 -0.229189D+01 -0.105109D+01 -0.192468D+01  0.108665D+01
      3  -0.229189D+01 -0.151374D+01  0.279729D+00  0.108665D+01 -0.182916D+01
               211           212           213           214           215 
      1  -0.249827D+01 -0.960054D+00  0.385749D+00  0.114724D+01  0.415314D+00
      2  -0.960054D+00 -0.332640D+01  0.183470D+01  0.415314D+00  0.195131D+01
      3   0.385749D+00  0.183470D+01 -0.265705D+01 -0.443168D+00 -0.115809D+01
               216 
      1  -0.443168D+00
      2  -0.115809D+01
      3   0.262248D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.243966D-01  0.157241D+00 -0.289301D+01 -0.117382D+01  0.877739D+00
      2  -0.110574D+00 -0.418264D+00 -0.347535D+00  0.563899D+00  0.221154D+01
      3  -0.212522D+01 -0.280991D+00 -0.582746D-01  0.453859D+01  0.141961D+01
                 6             7             8             9            10 
      1   0.225610D+01 -0.170515D+01  0.515677D+01 -0.833413D+01 -0.470742D+00
      2   0.158527D+01 -0.410739D+01  0.925921D+00 -0.619285D+01 -0.191440D+01
      3  -0.514318D+00  0.106760D+00 -0.225813D+01  0.363318D+00 -0.259117D+01
                11            12            13            14            15 
      1  -0.173719D+01 -0.847233D+00  0.387942D+00  0.208805D+00 -0.215430D+01
      2  -0.100346D+01  0.242401D+01 -0.244244D+00 -0.163421D+01 -0.313652D+01
      3  -0.551698D+01  0.170922D-02  0.267138D-01  0.342080D+00  0.189574D+01
                16            17            18            19            20 
      1  -0.113190D+01  0.389155D+01 -0.152712D+01  0.240754D+00 -0.272874D+00
      2  -0.105674D+01 -0.181451D+01  0.131867D+02 -0.355892D+00  0.114302D+01
      3  -0.707369D+00  0.258935D+01  0.228849D+01  0.265192D+01 -0.104035D+01
                21            22            23            24            25 
      1   0.334010D+01 -0.131794D+00 -0.209599D+01 -0.189070D+01  0.294731D+01
      2   0.703794D+00 -0.145222D+01  0.823302D+00 -0.848181D+00 -0.445236D+01
      3  -0.598539D+00  0.470604D+01 -0.530076D+01 -0.269576D+01  0.178846D+00
                26            27            28            29            30 
      1   0.156849D+01  0.722203D+01 -0.221719D+01 -0.780395D+00  0.159272D+01
      2   0.327418D+00 -0.404085D+01 -0.711847D+01  0.341876D+01 -0.392355D+00
      3  -0.109109D+01 -0.294642D+01 -0.769268D+01 -0.953078D+01 -0.330542D+00
                31            32            33            34            35 
      1  -0.785621D+00  0.572650D+00  0.252903D+01  0.295071D+00  0.434601D+01
      2   0.203484D+01 -0.141258D+01 -0.433743D+01 -0.445355D+01  0.322644D+00
      3  -0.694421D+01  0.201183D+01  0.385619D+01  0.819647D+00  0.340686D+01
                36            37            38            39            40 
      1  -0.272234D+00  0.147087D+01 -0.190481D+00 -0.208222D+01  0.147026D+01
      2   0.142349D+02  0.375329D+01 -0.674346D+00  0.111779D+02 -0.196469D+01
      3   0.194159D+01 -0.859011D+01 -0.536665D+01  0.129661D+00  0.169789D+02
                41            42            43            44            45 
      1   0.256455D+01 -0.691612D+01  0.199868D+01  0.276468D+01  0.103503D+01
      2  -0.114126D+01  0.202974D+01 -0.607915D+01 -0.133812D+01 -0.180886D+00
      3   0.527797D+01 -0.488193D+00 -0.352199D+01 -0.155766D+01 -0.302552D+00
                46            47            48            49            50 
      1   0.851507D+00 -0.575318D+00  0.249492D+01 -0.990815D+00 -0.328867D+01
      2  -0.315804D+01 -0.138312D+01 -0.743047D+01  0.397786D-01  0.301194D+01
      3   0.699485D+01  0.561382D+01 -0.253838D+00  0.160316D+01 -0.598218D+00
                51            52            53            54            55 
      1  -0.599940D-01  0.630643D+00  0.168618D+01  0.947457D+01 -0.274933D+01
      2   0.138633D+01 -0.662375D+01 -0.975510D+00 -0.108990D+02 -0.652025D+01
      3  -0.232224D+01  0.104335D+01 -0.181962D+01 -0.350636D+01  0.177804D+02
                56            57            58            59            60 
      1   0.857234D+00 -0.696467D+00  0.225731D+01 -0.291391D+01 -0.728200D+01
      2   0.323826D+01  0.207603D+01  0.121119D+01 -0.314859D+01 -0.148846D+01
      3  -0.450298D+01  0.840452D+00  0.530805D+01  0.759521D+01  0.968964D+00
                61            62            63            64            65 
      1   0.665227D+00  0.968894D+00 -0.389362D+01  0.136616D+01  0.406396D+00
      2  -0.446030D+01 -0.166338D+01 -0.193185D+01  0.101058D+01 -0.434276D+00
      3   0.492662D+01  0.297870D+01  0.110120D+01 -0.262967D+00 -0.188468D+01
                66            67            68            69            70 
      1   0.917726D+00  0.100922D+00  0.136039D+01 -0.158300D+01  0.104523D+01
      2   0.202094D+01 -0.209031D-01  0.514099D+00 -0.346569D+00 -0.341842D+01
      3  -0.123174D+01  0.901704D+00 -0.168420D+00 -0.876878D+00 -0.295815D+01
                71            72            73            74            75 
      1   0.336898D+01  0.103189D+02  0.532027D+00 -0.331318D-01  0.806503D+00
      2  -0.665243D+00  0.732242D+01  0.518320D+01  0.290623D+01  0.505589D+01
      3  -0.181133D+01 -0.110580D+00  0.109225D+02 -0.294408D+01 -0.281366D+01
                76            77            78            79            80 
      1  -0.147835D+01  0.107314D+01 -0.243474D+01  0.101237D+01  0.327570D+01
      2   0.270681D+01  0.370998D+01 -0.398074D+01 -0.242738D+01 -0.202312D+01
      3   0.808746D+01  0.171717D+02 -0.347836D+01 -0.270150D+01 -0.680925D+01
                81            82            83            84            85 
      1  -0.467276D-01  0.281130D+00  0.891216D+00  0.255630D+00  0.478462D+00
      2   0.281546D+01 -0.291595D+01  0.103294D+00 -0.111551D+01  0.590130D+00
      3   0.160161D+01  0.173526D+00 -0.120595D+00 -0.209909D+00  0.194499D+01
                86            87            88            89            90 
      1  -0.312708D+00 -0.146321D+01  0.207668D+00  0.406202D+01  0.110732D+01
      2  -0.179171D+01  0.151843D+01 -0.509828D+01  0.972479D+00 -0.139116D+02
      3  -0.696286D+00  0.156207D+01 -0.400401D+00  0.258014D+01 -0.592102D+00
                91            92            93            94            95 
      1  -0.199605D+01  0.865786D+00 -0.125973D+01  0.421673D+00 -0.147548D+01
      2   0.167545D+00  0.548337D+00  0.832955D+00  0.965969D+00  0.123728D+00
      3   0.125356D+01 -0.224656D+01  0.146374D+01  0.232792D+00  0.988491D+00
                96            97            98            99           100 
      1  -0.225678D+00 -0.208210D+01  0.437790D+01 -0.880152D+01  0.239512D+01
      2   0.106764D+00 -0.395478D+01  0.324829D+00  0.487996D+01 -0.171006D+00
      3  -0.696122D+00  0.267030D+01 -0.209826D+01  0.150315D+01  0.936662D+01
               101           102           103           104           105 
      1  -0.240264D+01 -0.418838D+01 -0.117691D+01  0.748895D+01 -0.199653D+01
      2  -0.340732D+00  0.536860D+01  0.134806D+01 -0.122656D+01  0.140510D+01
      3  -0.110938D+02 -0.258089D+01 -0.596711D+00  0.108397D+02  0.351121D+01
               106           107           108           109           110 
      1  -0.300818D+01  0.514990D+01  0.363397D+01  0.363682D+01  0.141259D+01
      2  -0.184743D+01  0.104124D+01 -0.177624D+01  0.968292D+01 -0.285520D+01
      3  -0.536860D+01  0.532533D+01  0.204346D+01  0.795237D+01  0.900756D+01
               111           112           113           114           115 
      1  -0.160455D+01  0.211998D+01  0.195087D+01 -0.434672D+01 -0.217501D+01
      2   0.184388D+00 -0.333405D+01  0.106110D+02  0.648522D+01 -0.993284D+01
      3  -0.130744D+01  0.201065D+02 -0.223683D+01 -0.123659D+02 -0.381835D+00
               116           117           118           119           120 
      1  -0.356144D+01 -0.293532D+01 -0.195928D-01  0.124957D+01  0.320812D+00
      2   0.705537D+01 -0.621970D+01 -0.282625D+01 -0.314080D+00 -0.605774D+00
      3  -0.117560D+02 -0.515495D+01  0.396669D+00  0.154126D+00  0.287395D+00
               121           122           123           124           125 
      1   0.279496D+00 -0.152847D+01 -0.105014D+00  0.285921D+00  0.511446D+01
      2  -0.884762D-01 -0.236432D+01  0.961296D+00 -0.613399D+01  0.411154D+00
      3   0.260481D+01 -0.168400D+01  0.182379D+01  0.650141D+00  0.256358D+01
               126           127           128           129           130 
      1  -0.164564D+01  0.148454D+01  0.388817D+00 -0.272481D+01  0.162899D+01
      2  -0.142416D+02 -0.251138D+01 -0.445322D+00  0.514329D+01  0.282435D+00
      3  -0.187545D+01  0.461585D+01 -0.599165D+01 -0.216462D+01  0.606121D+01
               131           132           133           134           135 
      1   0.126767D+02 -0.195695D+01 -0.128180D+01  0.733941D+01  0.738938D+01
      2  -0.551991D+01 -0.772208D-01 -0.102890D+01 -0.612019D+00 -0.374356D+01
      3   0.668803D+01  0.481782D+01 -0.584766D+01  0.983642D+01  0.328887D+01
               136           137           138           139           140 
      1  -0.206808D+01  0.555356D-01 -0.974471D+00  0.716134D+00 -0.157252D+01
      2   0.139037D+01  0.524679D+00  0.175579D+01  0.697264D+00  0.755453D+00
      3   0.929386D+00 -0.194770D+01  0.192678D+01  0.111232D+00  0.160793D+01
               141           142           143           144           145 
      1   0.388145D+00 -0.990938D+00  0.506223D+01 -0.101372D+02  0.129275D+01
      2  -0.112055D+01 -0.361881D+01  0.206595D-01  0.107188D+02  0.539975D+01
      3  -0.117282D+01  0.365562D+01 -0.189686D+01  0.260716D+01 -0.195842D+02
               146           147           148           149           150 
      1  -0.795101D+00  0.360600D+01 -0.241700D+00  0.507555D+00 -0.144805D+01
      2  -0.169088D+01  0.325390D+01 -0.131254D+01  0.803075D+00 -0.119794D+01
      3   0.938406D+00 -0.133674D+00  0.343177D+01 -0.226268D+01 -0.532995D+00
               151           152           153           154           155 
      1   0.141740D+01 -0.345714D+00 -0.409895D+00  0.841333D-01  0.124031D+00
      2   0.918237D+00 -0.854613D+00 -0.205257D-01 -0.275517D+01 -0.210088D+01
      3  -0.231370D+01 -0.198105D+00 -0.699507D+00 -0.828315D+01 -0.916056D+01
               156           157           158           159           160 
      1  -0.761098D+00  0.481330D+00 -0.847253D+00 -0.870779D+00 -0.312832D+00
      2   0.468680D+01 -0.296574D+01 -0.307777D+01  0.434511D+01  0.255272D+01
      3   0.214478D+01 -0.781860D+01 -0.147266D+02  0.291317D+01  0.358844D+01
               161           162           163           164           165 
      1   0.712945D+00  0.387656D+00 -0.187981D+01  0.236767D+01  0.167254D+01
      2   0.210089D+01 -0.187488D+01  0.248730D+00 -0.110193D+00 -0.607912D+00
      3   0.488731D+01 -0.192187D+01 -0.607626D+01  0.590002D+01  0.212545D+01
               166           167           168           169           170 
      1   0.150574D+01 -0.713248D+01 -0.578376D+01  0.796668D+00 -0.283104D+01
      2  -0.544300D-01  0.621015D+00  0.149903D+01 -0.108773D+01  0.919740D+00
      3   0.765393D+01 -0.154121D+02 -0.251040D+01  0.334940D+01 -0.416456D+01
               171           172           173           174           175 
      1  -0.145946D+01  0.267065D+01  0.307258D+01  0.202175D+01  0.109316D+01
      2   0.412347D+00 -0.131323D+00 -0.654016D+01  0.141481D+02 -0.509286D+01
      3  -0.188956D+01 -0.875300D+01 -0.115085D+02  0.319025D+01 -0.684830D+01
               176           177           178           179           180 
      1   0.386436D+01 -0.406732D+01  0.860133D+00  0.548292D+01  0.570373D+01
      2  -0.264569D+01  0.544362D+01  0.568877D+01  0.349838D+00  0.138572D+02
      3  -0.663825D+01  0.912735D+00  0.218187D+01  0.169314D+01 -0.116634D+01
               181           182           183           184           185 
      1  -0.263861D+01 -0.207398D+01 -0.141480D+00 -0.223848D+01 -0.390155D+01
      2  -0.116290D+01 -0.215887D+00  0.477900D+01  0.875158D+00 -0.354497D+01
      3  -0.926774D+01 -0.953213D+01  0.260817D+01 -0.817541D+01 -0.150230D+02
               186           187           188           189           190 
      1   0.405228D+00  0.721211D+00  0.288905D+01 -0.911736D+00  0.993320D-01
      2   0.511662D+01  0.226864D+01  0.252744D+01 -0.218971D+01 -0.313821D+01
      3   0.565395D+01  0.222470D+01  0.504552D+01 -0.363417D+01  0.240128D+01
               191           192           193           194           195 
      1  -0.111812D+01  0.943171D+00 -0.148627D+01  0.353018D+01 -0.281464D+01
      2   0.111779D+01  0.272829D+01  0.640037D+00 -0.708231D+01 -0.103826D+02
      3  -0.492452D+01 -0.872132D+00 -0.443675D+01  0.159971D+02  0.827109D+01
               196           197           198           199           200 
      1   0.512965D+00  0.163516D+01 -0.161883D+01 -0.207439D+00  0.994868D+00
      2   0.176672D+01 -0.704425D+01 -0.932131D+01  0.801383D+00 -0.115027D+00
      3  -0.118405D+01  0.772647D+01  0.662249D+01 -0.100245D+01  0.177404D+01
               201           202           203           204           205 
      1   0.788335D+00 -0.322957D+00 -0.837076D+01 -0.731109D+01 -0.295697D+00
      2   0.489240D-01 -0.437970D+00  0.346882D+01  0.328245D+01 -0.658454D+00
      3   0.106053D+01  0.383288D+01 -0.141324D+02 -0.383516D+01  0.228101D+01
               206           207           208           209           210 
      1  -0.694879D+01 -0.496380D+01 -0.213456D+01 -0.286430D+01 -0.586770D+00
      2   0.348222D+01  0.224000D+01  0.641862D+01  0.548378D+01 -0.629269D+01
      3  -0.781638D+01 -0.364689D+01  0.796907D+01  0.682175D+01 -0.306619D+01
               211           212           213           214           215 
      1  -0.218128D+01 -0.307841D+01 -0.464272D+00  0.408011D+00  0.221749D+01
      2   0.501255D+01  0.793597D+01 -0.824872D+01 -0.363760D+01 -0.461174D+01
      3   0.757205D+01  0.976041D+01 -0.542971D+01 -0.229144D+01 -0.535560D+01
               216 
      1   0.527173D+00
      2   0.760874D+01
      3   0.408543D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.659334D+01 -0.827132D+01 -0.687120D+00 -0.476456D+01  0.881748D+01
      2  -0.212227D+01  0.123162D+02  0.108141D-01  0.770158D+01 -0.192284D+02
      3  -0.447107D+01 -0.404492D+01  0.676306D+00 -0.293702D+01  0.104110D+02
      4  -0.165638D+01 -0.673039D+01 -0.490716D-01 -0.124797D+02  0.106870D+02
      5   0.175839D+01 -0.201101D+01 -0.471796D+01 -0.480217D+01  0.152870D+01
      6   0.169023D+01  0.270921D+01  0.741282D+01  0.335415D+01 -0.907395D+01
                 6             7             8             9            10 
      1   0.411801D+01  0.192041D+01  0.530559D+01  0.872107D+01 -0.337683D+02
      2  -0.180330D+01  0.277873D+01 -0.141773D+02  0.437948D+01  0.184764D+02
      3  -0.231471D+01 -0.469914D+01  0.887168D+01 -0.131005D+02  0.152919D+02
      4   0.270888D+01 -0.260318D+01  0.652758D+01  0.747317D+01  0.539407D+01
      5   0.459027D+01 -0.430473D+01  0.450897D+01 -0.195350D+02 -0.227534D+01
      6  -0.115484D+02  0.594267D+01 -0.766009D+01  0.241271D+02 -0.563338D+00
                11            12            13            14            15 
      1  -0.243739D+00  0.283111D+01  0.384557D+01  0.972815D+01 -0.358939D+00
      2   0.303016D+01  0.256294D+01 -0.222743D+01 -0.300171D+01 -0.121985D+01
      3  -0.278642D+01 -0.539405D+01 -0.161814D+01 -0.672644D+01  0.157879D+01
      4  -0.154927D+01 -0.157113D+00  0.889946D+01  0.203606D+00 -0.238370D+01
      5  -0.452286D+00 -0.215910D+01  0.142776D+01 -0.132384D+01 -0.588362D+01
      6  -0.279041D+00  0.217926D+01 -0.126579D+01  0.398526D+00  0.169575D+00
                16            17            18            19            20 
      1  -0.610027D+01  0.178564D+01  0.168955D+02 -0.363159D+01  0.616496D+01
      2   0.378656D+01 -0.490188D+01  0.536823D+01  0.699094D+00 -0.119656D+02
      3   0.231372D+01  0.311624D+01 -0.222638D+02  0.293250D+01  0.580060D+01
      4   0.298266D+01 -0.349461D+01 -0.348985D+01 -0.328792D+01 -0.104671D+02
      5   0.578101D+01 -0.370610D+01  0.284452D+02  0.135920D+01  0.365223D+01
      6   0.627963D+00 -0.176256D+00  0.610017D+01 -0.337253D+00  0.421993D+01
                21            22            23            24            25 
      1  -0.210570D+01  0.131361D+01 -0.271047D+01 -0.472250D+01  0.247090D+01
      2   0.380932D+00 -0.756867D+01 -0.174160D+01  0.239596D+01  0.416201D+01
      3   0.172477D+01  0.625506D+01  0.445207D+01  0.232655D+01 -0.663291D+01
      4   0.123847D+01 -0.161850D+02 -0.839109D+01  0.179176D+01  0.502541D+01
      5  -0.595713D+01  0.269175D+01  0.406205D+01 -0.103084D+01 -0.371343D+01
      6  -0.793522D+01  0.309929D+01  0.594804D+01 -0.415087D+01 -0.451980D+01
                26            27            28            29            30 
      1  -0.139334D+01  0.398689D+00 -0.180969D+02  0.947489D+01 -0.885945D+00
      2   0.612216D+01  0.957945D+01  0.923084D+01 -0.106105D+02  0.130125D+01
      3  -0.472883D+01 -0.997814D+01  0.886602D+01  0.113560D+01 -0.415303D+00
      4   0.759577D+01 -0.170419D+01 -0.206234D+01 -0.228934D+01 -0.629424D+00
      5   0.680059D+00 -0.134825D+02 -0.168778D+01 -0.154438D+01 -0.283071D+01
      6   0.725613D+00 -0.186677D+02 -0.249478D+00 -0.199102D+01 -0.198064D+01
                31            32            33            34            35 
      1   0.384827D+01  0.147515D+02 -0.451847D+01 -0.454086D+01 -0.113117D+01
      2  -0.293453D+01 -0.151269D+02 -0.389658D+01  0.167097D+01 -0.663750D+00
      3  -0.913738D+00  0.375355D+00  0.841504D+01  0.286989D+01  0.179492D+01
      4  -0.489536D+01 -0.103668D+02 -0.588408D+01  0.443252D+01 -0.318919D+01
      5   0.129052D+01 -0.863358D+01 -0.936477D+01  0.572762D+00 -0.258119D+01
      6  -0.435608D+01  0.418836D+01 -0.323520D+01 -0.169208D+01  0.726547D+00
                36            37            38            39            40 
      1   0.220787D+02  0.174504D+02 -0.197982D+01  0.212260D+01 -0.268763D+00
      2   0.156806D+02 -0.113353D+02  0.109509D+01 -0.111968D+01  0.121479D+01
      3  -0.377593D+02 -0.611519D+01  0.884736D+00 -0.100292D+01 -0.946031D+00
      4  -0.321237D+01 -0.955330D+01  0.179179D+02  0.104902D+00  0.173332D+02
      5   0.242536D+02  0.226714D+01  0.466352D+00  0.219169D+02 -0.162223D+01
      6   0.175129D+00  0.152330D+01  0.309676D+00  0.625754D+01  0.987720D+00
                41            42            43            44            45 
      1  -0.167085D+02  0.392278D+01  0.398525D+01  0.281515D+01 -0.770775D+01
      2   0.241913D+02  0.151438D+01 -0.468109D+01 -0.377487D+01 -0.457807D+01
      3  -0.748285D+01 -0.543717D+01  0.695845D+00  0.959720D+00  0.122858D+02
      4  -0.829686D-01  0.692404D+00 -0.691593D+01 -0.849862D+00 -0.203932D+01
      5   0.188835D+01  0.346002D+01  0.688441D+01 -0.157562D+01  0.983180D+00
      6  -0.909870D+00  0.927435D+01 -0.138010D+01  0.734150D+01 -0.102231D-01
                46            47            48            49            50 
      1  -0.158632D+02  0.473560D+01  0.264389D+01 -0.554280D+01 -0.107606D+01
      2   0.135922D+02 -0.661749D+01  0.729641D+00 -0.342711D+01 -0.769537D+01
      3   0.227102D+01  0.188189D+01 -0.337353D+01  0.896991D+01  0.877142D+01
      4   0.635312D+01 -0.190066D+02 -0.238100D+01 -0.204312D+02 -0.104423D+02
      5   0.146707D+01 -0.168281D+00 -0.208920D+02  0.239789D+01  0.212934D+01
      6  -0.118676D+01  0.157320D+01 -0.991261D+01  0.589591D+00  0.586861D+01
                51            52            53            54            55 
      1  -0.409112D+01  0.518062D+01 -0.421768D+01  0.706914D+01 -0.136471D+02
      2  -0.565348D+00  0.324862D+01  0.772243D+01  0.181336D+02  0.312502D+01
      3   0.465647D+01 -0.842925D+01 -0.350475D+01 -0.252028D+02  0.105220D+02
      4   0.298959D+01  0.245306D+01  0.559414D+01 -0.144619D+01  0.263572D+02
      5   0.175993D+01 -0.859398D+01 -0.956302D-02 -0.249328D+02 -0.732230D+00
      6  -0.580214D+01 -0.460123D+01 -0.204555D+00 -0.229794D+02  0.449549D+01
                56            57            58            59            60 
      1   0.437830D+01 -0.180346D+01  0.484556D+01 -0.299963D+02 -0.847366D+01
      2  -0.118360D+01  0.247211D+01 -0.645826D+01  0.485223D+02  0.645770D+01
      3  -0.319470D+01 -0.668648D+00  0.161270D+01 -0.185260D+02  0.201596D+01
      4   0.395247D+00  0.309903D+01  0.106017D+02 -0.215024D+02 -0.599300D+01
      5   0.569427D-01  0.587161D+01  0.268216D+01 -0.418091D+01 -0.216752D+01
      6  -0.129678D+01  0.274510D+00 -0.329739D+01  0.148225D+02  0.155387D+02
                61            62            63            64            65 
      1  -0.277659D+01 -0.111096D+02 -0.119388D+02  0.117082D+01  0.111234D+01
      2  -0.111559D+01  0.166607D+02  0.249251D+01 -0.362420D+01 -0.185985D+01
      3   0.389218D+01 -0.555104D+01  0.944625D+01  0.245338D+01  0.747511D+00
      4   0.107176D+02 -0.117008D+02 -0.643414D+01 -0.169451D+01  0.417216D+01
      5   0.803138D+01 -0.596295D+01 -0.425528D+01  0.465523D+01 -0.131918D+01
      6  -0.408613D+01  0.191689D+02  0.963186D+01 -0.409215D+01  0.472372D+00
                66            67            68            69            70 
      1   0.191599D+01  0.109320D+01 -0.437787D+01  0.347319D+01  0.172146D+01
      2  -0.287100D+01 -0.177079D+01  0.362851D+01 -0.303906D+01 -0.304957D+01
      3   0.955014D+00  0.677592D+00  0.749362D+00 -0.434125D+00  0.132811D+01
      4  -0.366414D+01  0.388965D+01 -0.324262D+01  0.291101D+01 -0.551874D+01
      5   0.951209D+01 -0.299650D+00  0.277842D+01 -0.191665D+01  0.760289D+01
      6  -0.279072D+01  0.103091D+01 -0.447597D+01  0.899542D+01 -0.415094D+01
                71            72            73            74            75 
      1   0.517906D+01 -0.145277D+02  0.538670D+02 -0.173301D+02  0.362329D+01
      2  -0.436515D+01 -0.130245D+02 -0.323588D+02  0.830533D+01 -0.347235D+01
      3  -0.813912D+00  0.275522D+02 -0.215081D+02  0.902476D+01 -0.150934D+00
      4   0.484658D+01 -0.490907D+01 -0.208524D+02  0.464072D+01  0.414165D+01
      5  -0.314840D+01  0.205787D+02  0.757567D+01  0.524945D+01  0.107971D+02
      6   0.865419D+01 -0.269603D+02  0.833139D+00  0.595897D+00 -0.190031D+01
                76            77            78            79            80 
      1  -0.348371D+02 -0.937281D+01  0.487438D+01  0.204190D+02  0.481151D+01
      2   0.190472D+02  0.905638D+01 -0.261801D+01 -0.114311D+02 -0.226688D+01
      3   0.157899D+02  0.316428D+00 -0.225637D+01 -0.898788D+01 -0.254463D+01
      4  -0.115850D+01 -0.228997D+02  0.749973D+01  0.445706D+01  0.983051D+01
      5   0.626378D+01  0.855300D+01 -0.622417D+01  0.126672D+02 -0.400987D+01
      6   0.199351D+01  0.195820D+01  0.555528D+01 -0.117459D+01  0.405689D+01
                81            82            83            84            85 
      1   0.104129D+01  0.879554D+00  0.177697D+00 -0.634699D+01  0.562952D+00
      2  -0.767896D+01 -0.395714D+01 -0.584290D-01  0.102426D+01 -0.302393D+00
      3   0.663767D+01  0.307758D+01 -0.119268D+00  0.532273D+01 -0.260559D+00
      4  -0.377122D+01 -0.354624D+00  0.341550D+00 -0.193841D+00  0.192142D+00
      5   0.443663D+01 -0.240073D+01 -0.344514D+00  0.385658D+01 -0.222498D+00
      6   0.680707D+00 -0.757980D+00  0.501860D+00 -0.580435D+00  0.200762D+00
                86            87            88            89            90 
      1  -0.562367D+01  0.219597D+01 -0.899243D+01  0.177427D+01 -0.206722D+02
      2   0.101126D+01  0.176806D+00  0.401246D+01  0.723947D+00 -0.164460D+02
      3   0.461241D+01 -0.237277D+01  0.497996D+01 -0.249822D+01  0.371182D+02
      4   0.159659D+01 -0.269258D+01 -0.941778D+00 -0.469901D+01  0.191462D+01
      5  -0.305009D+01  0.258339D+01  0.474161D+01  0.252084D+01 -0.263882D+02
      6  -0.181529D+01  0.825717D+01 -0.168314D+00  0.515973D+01 -0.536688D+01
                91            92            93            94            95 
      1   0.255557D+01 -0.245770D+01  0.197148D+01 -0.195176D+01 -0.583028D+00
      2  -0.405005D+01  0.324662D+01 -0.190020D+01  0.241940D+01 -0.132558D+01
      3   0.149448D+01 -0.788924D+00 -0.712766D-01 -0.467633D+00  0.190861D+01
      4   0.416065D+00  0.368069D+01  0.135047D+01  0.416407D+01  0.575640D+00
      5   0.400114D+01 -0.873132D+00  0.712432D+01 -0.393037D+00  0.237152D+01
      6   0.224104D+01 -0.777994D-01  0.225059D+01  0.464279D+00  0.135734D+01
                96            97            98            99           100 
      1  -0.145176D+01  0.215735D+01 -0.328096D+01 -0.109491D+02  0.154042D+02
      2   0.236039D+01 -0.411321D+01  0.568626D+01 -0.155816D+02 -0.364442D+01
      3  -0.908630D+00  0.195587D+01 -0.240530D+01  0.265307D+02 -0.117598D+02
      4   0.274212D+01  0.315689D+01  0.388196D+01  0.119962D+01  0.237903D+02
      5   0.312951D-01  0.716891D+01 -0.521669D+00  0.163146D+02 -0.496746D+01
      6   0.510755D+01  0.273133D+01  0.377681D+01  0.176980D+02 -0.647431D+01
               101           102           103           104           105 
      1  -0.999402D+01 -0.866695D+00 -0.331048D+01  0.965609D+01  0.778014D+01
      2   0.236760D+02  0.330608D+01  0.133732D+02 -0.873980D+01 -0.899183D+01
      3  -0.136820D+02 -0.243938D+01 -0.100627D+02 -0.916292D+00  0.121168D+01
      4   0.266110D+02 -0.444733D+01  0.231701D+02  0.149509D+02 -0.424590D+01
      5  -0.120691D+01  0.113471D+02 -0.139848D+01 -0.800406D+01  0.169178D+01
      6  -0.317948D+01  0.719833D+01 -0.243641D+01 -0.119118D+02  0.919155D+01
               106           107           108           109           110 
      1  -0.304909D+01  0.119328D+02 -0.360932D+01  0.915572D+01 -0.177161D+02
      2   0.886853D+00 -0.187436D+02 -0.394457D+01 -0.677331D+01  0.138693D+02
      3   0.216224D+01  0.681086D+01  0.755389D+01 -0.238241D+01  0.384681D+01
      4  -0.926227D+01 -0.111920D+02  0.731833D+01 -0.146846D+02 -0.167057D+02
      5   0.106906D+02  0.400394D+01 -0.398529D+01  0.823122D+01  0.263733D+01
      6   0.874179D+01  0.117717D+02 -0.847008D+01 -0.611265D+00  0.539962D+01
               111           112           113           114           115 
      1   0.849502D+01 -0.185987D+02 -0.204468D+02  0.627802D+01  0.649203D+01
      2  -0.160688D+01  0.144260D+02  0.550200D+01 -0.100998D+02 -0.203164D+01
      3  -0.688814D+01  0.417270D+01  0.149448D+02  0.382181D+01 -0.446039D+01
      4   0.246475D-01 -0.282851D+02  0.128790D+02  0.274412D+02  0.793782D+00
      5  -0.108784D+02  0.220030D+01  0.319735D+02  0.145814D+02 -0.363805D+02
      6   0.321340D+01  0.104450D+02 -0.116016D+02 -0.117400D+02  0.945803D+01
               116           117           118           119           120 
      1   0.706420D+01 -0.147598D+02  0.150881D+01 -0.474175D+00 -0.529889D+01
      2  -0.611930D+01  0.844493D+01 -0.487564D+01  0.412406D+00  0.102151D+01
      3  -0.944900D+00  0.631490D+01  0.336683D+01  0.617683D-01  0.427738D+01
      4   0.214847D+02  0.184910D+02 -0.390441D+00  0.167488D+01  0.129928D+01
      5   0.174367D+02 -0.578373D+01 -0.339813D+01  0.707114D-01  0.621915D+01
      6  -0.212101D+02 -0.379808D+01  0.685869D+00  0.970341D+00 -0.181503D+00
               121           122           123           124           125 
      1   0.685596D-02 -0.619175D+01  0.671208D+00 -0.545321D+01  0.130088D+01
      2  -0.422288D+00  0.118861D+01  0.183597D+01  0.577287D+01  0.111139D+01
      3   0.415432D+00  0.500314D+01 -0.250718D+01 -0.319655D+00 -0.241227D+01
      4   0.162573D+01  0.187308D+01 -0.202844D+01  0.141284D+01 -0.281921D+01
      5  -0.535420D+00 -0.276976D+01  0.263706D+01  0.800890D+01  0.136338D+01
      6   0.405115D+00 -0.298320D+00  0.835309D+01  0.608896D+00  0.624806D+01
               126           127           128           129           130 
      1  -0.259031D+02  0.130174D+02 -0.265033D+01 -0.233507D+01  0.342793D+01
      2  -0.222852D+02  0.347072D+00  0.130479D+02  0.266932D+01  0.592924D+01
      3   0.481883D+02 -0.133644D+02 -0.103975D+02 -0.334257D+00 -0.935717D+01
      4   0.159911D+01  0.183352D+02  0.245369D+02 -0.392885D+01  0.224920D+02
      5  -0.244597D+02 -0.262764D+01 -0.138390D+00  0.920014D+01 -0.175324D+01
      6   0.315294D+01 -0.399220D+01 -0.210464D+00  0.573485D+01 -0.118936D+01
               131           132           133           134           135 
      1   0.772736D+01  0.116897D+02 -0.561611D+01  0.194465D+02  0.482134D+00
      2  -0.505622D+01 -0.162220D+02  0.956615D-02 -0.344218D+02 -0.945037D+01
      3  -0.267113D+01  0.453230D+01  0.560654D+01  0.149753D+02  0.896823D+01
      4   0.987206D+01 -0.819525D+01 -0.113330D+02 -0.204860D+02  0.284137D+01
      5  -0.929772D+01 -0.255106D+00  0.890990D+01 -0.542121D+00 -0.637856D+01
      6  -0.232471D+02  0.495002D+01  0.550596D+01  0.316355D+01 -0.134708D+02
               136           137           138           139           140 
      1   0.208257D+01 -0.375734D+00  0.219747D+01 -0.122271D+01 -0.260050D+01
      2  -0.533570D+01  0.600836D+00 -0.280458D+01  0.226624D+01 -0.182786D+00
      3   0.325313D+01 -0.225103D+00  0.607108D+00 -0.104354D+01  0.278329D+01
      4   0.167822D+01  0.422811D+01  0.383931D+01  0.405702D+01  0.659545D+00
      5   0.600184D+01  0.962832D+00  0.110000D+02 -0.609170D+00  0.308288D+01
      6   0.397439D+01  0.103054D+01  0.297158D+01  0.802608D+00  0.227671D+01
               141           142           143           144           145 
      1  -0.141631D+01  0.109237D+01 -0.291512D+01 -0.166493D+02  0.233676D+02
      2   0.405600D+01 -0.485828D+01  0.397591D+01 -0.208973D+02 -0.141997D+01
      3  -0.263969D+01  0.376591D+01 -0.106079D+01  0.375466D+02 -0.219476D+02
      4   0.243305D+01  0.637578D+01  0.605070D+01  0.284273D+01 -0.414516D+02
      5  -0.248178D+01  0.114408D+02  0.218680D+01  0.255269D+02 -0.463089D+01
      6   0.572569D+01  0.481596D+01  0.702219D+01  0.237131D+02  0.265570D+00
               146           147           148           149           150 
      1  -0.241486D+01  0.131936D+01 -0.345636D+01  0.105045D+01 -0.981166D-01
      2  -0.105165D+02 -0.468429D+00 -0.347340D+01  0.587669D+01 -0.612453D+00
      3   0.129313D+02 -0.850930D+00  0.692976D+01 -0.692713D+01  0.710569D+00
      4   0.238021D+02  0.155490D+01  0.145120D+02 -0.962991D+01 -0.440436D+00
      5   0.241800D+01  0.457957D+01  0.154004D+01 -0.401828D+00 -0.243788D+01
      6  -0.233451D+01 -0.629029D+01 -0.936905D+00  0.685284D+00  0.247666D+01
               151           152           153           154           155 
      1   0.247870D+01 -0.298304D+00  0.108934D+01  0.352121D+02  0.159150D+02
      2  -0.174439D+00 -0.954326D+00 -0.172368D+00 -0.180987D+02 -0.802227D+01
      3  -0.230426D+01  0.125263D+01 -0.916967D+00 -0.171134D+02 -0.789274D+01
      4  -0.399494D+01  0.199935D+01 -0.324769D+01  0.160775D+02  0.159398D+02
      5   0.370676D+01 -0.170580D+01 -0.346575D+00 -0.667278D+01 -0.423143D+01
      6  -0.315754D+01  0.266730D+01  0.136383D+01 -0.120526D+01 -0.734040D+00
               156           157           158           159           160 
      1  -0.573260D+01  0.304362D+02  0.147309D+02 -0.501850D+01 -0.115053D+02
      2   0.274466D+01 -0.159015D+02 -0.542910D+01  0.275109D+01  0.683886D+01
      3   0.298793D+01 -0.145347D+02 -0.930180D+01  0.226741D+01  0.466645D+01
      4  -0.363661D+01  0.185480D+02  0.210075D+02 -0.572620D+01 -0.649438D+01
      5   0.854101D+01 -0.686037D+01 -0.629752D+01  0.719616D+01  0.820130D+01
      6   0.104682D+01 -0.168824D+01 -0.162571D+01  0.983883D+00  0.149881D+01
               161           162           163           164           165 
      1  -0.596716D+01  0.578343D+01 -0.280858D+01  0.890160D+01  0.825001D+00
      2   0.338477D+01 -0.355475D+01  0.406770D+01 -0.136704D+02 -0.198790D+01
      3   0.258239D+01 -0.222868D+01 -0.125912D+01  0.476877D+01  0.116290D+01
      4  -0.740225D+01  0.404816D+01 -0.308336D+01 -0.103318D+01  0.131845D+01
      5   0.480986D+01 -0.427061D+01  0.460207D+00 -0.130745D+01 -0.158850D+01
      6   0.199330D+01 -0.164518D+01  0.172300D+01 -0.190389D+00 -0.130609D+01
               166           167           168           169           170 
      1   0.532617D+01 -0.296911D+02 -0.240865D+01  0.133638D+01 -0.733886D+01
      2  -0.444339D+01  0.516117D+02  0.615803D+01 -0.119905D+01  0.121156D+02
      3  -0.882784D+00 -0.219207D+02 -0.374938D+01 -0.137328D+00 -0.477676D+01
      4   0.737596D+01  0.139661D+02  0.827192D+00  0.218540D+01  0.359365D+01
      5  -0.151150D+01  0.351334D+01  0.341900D+01  0.324038D+00  0.223628D+01
      6  -0.977059D+00  0.744017D+00  0.752532D+01 -0.100514D+01  0.549190D+01
               171           172           173           174           175 
      1  -0.370469D+01  0.362324D+02  0.107186D+02  0.331434D+01  0.152844D+02
      2   0.480159D+01 -0.212776D+02 -0.895954D+01 -0.604968D+01 -0.116782D+02
      3  -0.109690D+01 -0.149548D+02 -0.175906D+01  0.273534D+01 -0.360614D+01
      4   0.728987D+00 -0.437920D+01  0.168048D+02 -0.783789D+01  0.154642D+02
      5   0.345810D+00  0.172701D+02 -0.482642D+01  0.225789D+02 -0.201177D+01
      6   0.187327D+01 -0.481341D+00  0.915725D+01 -0.803275D+01  0.601881D+01
               176           177           178           179           180 
      1   0.152185D+02 -0.621431D+01  0.835164D+01 -0.102282D+02  0.996284D+01
      2  -0.537599D+01  0.293366D+01 -0.801040D+01  0.397979D+01 -0.227861D+02
      3  -0.984255D+01  0.328065D+01 -0.341237D+00  0.624836D+01  0.128233D+02
      4   0.311269D+01  0.228041D+01 -0.890854D+01  0.176765D+00 -0.899939D+01
      5   0.345361D+01  0.581906D+01  0.355183D+02 -0.785518D+01  0.301757D+02
      6   0.467490D+01  0.149699D+01 -0.102023D+02  0.123897D+02 -0.260270D+01
               181           182           183           184           185 
      1   0.360875D+02  0.181736D+02 -0.915568D+01  0.287978D+02  0.149948D+02
      2  -0.201895D+02 -0.101241D+02  0.583117D+01 -0.167172D+02 -0.594834D+01
      3  -0.158980D+02 -0.804956D+01  0.332451D+01 -0.120807D+02 -0.904642D+01
      4   0.161738D+02  0.152687D+02 -0.387141D+01  0.174499D+02  0.223030D+02
      5  -0.139473D+02 -0.651621D+01  0.124349D+02 -0.101278D+02 -0.130624D+02
      6  -0.176666D+01 -0.312794D+01  0.448172D+00 -0.355977D+01 -0.316910D+01
               186           187           188           189           190 
      1  -0.593188D+01 -0.103408D+02 -0.333835D+01  0.773635D+01  0.108863D+02
      2   0.532734D+01  0.734030D+01  0.358745D+01 -0.711857D+01 -0.319392D+01
      3   0.604540D+00  0.300047D+01 -0.249094D+00 -0.617784D+00 -0.769241D+01
      4  -0.105395D+02 -0.371546D+01 -0.854250D+01  0.571116D+01 -0.126891D+02
      5   0.112788D+02  0.149295D+02  0.782319D+01 -0.920818D+01 -0.119870D+02
      6   0.305032D+01  0.846435D+00  0.454198D+01 -0.247386D+01  0.558073D+01
               191           192           193           194           195 
      1  -0.726644D+01 -0.804746D+01 -0.117229D+02  0.227432D+01 -0.161915D+01
      2   0.106682D+01  0.385377D+01  0.133330D+01  0.125283D+02  0.455617D+01
      3   0.619962D+01  0.419370D+01  0.103896D+02 -0.148026D+02 -0.293703D+01
      4   0.151978D+02  0.698621D+01  0.259492D+02 -0.387181D+02 -0.206802D+02
      5   0.653565D+01  0.105077D+02  0.124617D+02 -0.222880D+02 -0.234264D+02
      6  -0.436506D+01 -0.410228D+01 -0.854702D+01  0.188434D+02  0.166965D+02
               196           197           198           199           200 
      1  -0.889059D+01 -0.144303D+01  0.249908D+00 -0.168991D+00  0.508288D+01
      2   0.475388D+01  0.298545D+01 -0.193909D+01  0.220563D+01 -0.585245D+01
      3   0.413671D+01 -0.154241D+01  0.168918D+01 -0.203664D+01  0.769571D+00
      4   0.106933D+02 -0.176792D+02 -0.173238D+02  0.240612D+01  0.437213D+01
      5   0.166636D+02 -0.183606D+02 -0.232631D+02  0.468120D+00  0.230735D+00
      6  -0.710262D+01  0.149610D+02  0.151553D+02  0.189667D+01 -0.225335D+01
               201           202           203           204           205 
      1   0.186329D+01  0.228416D+01 -0.303147D+02 -0.803524D+01  0.132288D+01
      2  -0.178302D+01  0.179193D+01  0.555538D+02  0.138349D+02  0.484698D+00
      3  -0.802706D-01 -0.407609D+01 -0.252391D+02 -0.579970D+01 -0.180758D+01
      4   0.153594D+01  0.921203D+01  0.254632D+02  0.558629D+01  0.453232D+01
      5   0.660476D+00  0.737211D+00  0.795556D+01  0.637108D+01  0.147376D+01
      6  -0.116918D+01  0.103869D+01  0.174745D+02  0.127960D+02  0.107354D+01
               206           207           208           209           210 
      1  -0.167120D+02 -0.859502D+01 -0.151361D+02 -0.114705D+02  0.818915D+01
      2   0.274393D+02  0.121981D+02  0.933733D+01  0.767858D+01 -0.286791D+01
      3  -0.107272D+02 -0.360304D+01  0.579877D+01  0.379188D+01 -0.532124D+01
      4   0.129615D+02  0.569287D+01  0.801148D+00 -0.703794D+01  0.398823D+01
      5   0.753793D+01  0.441392D+01 -0.165330D+01  0.234418D+01 -0.793243D+01
      6   0.166353D+02  0.103341D+02 -0.319145D+01 -0.690003D+01  0.719415D+01
               211           212           213           214           215 
      1  -0.164919D+02 -0.157659D+02  0.956527D+01  0.931309D+01  0.816830D+01
      2   0.100129D+02  0.132005D+02 -0.571036D+01 -0.410518D+01 -0.489604D+01
      3   0.647898D+01  0.256541D+01 -0.385492D+01 -0.520791D+01 -0.327225D+01
      4   0.261376D+00 -0.122311D+02  0.744043D+01  0.469594D+00  0.751150D+01
      5  -0.154584D+01  0.601941D+01 -0.102306D+02  0.143797D+01 -0.348587D+01
      6  -0.364158D+01 -0.114268D+02  0.952419D+01  0.303240D+01  0.751944D+01
               216 
      1  -0.861928D+01
      2   0.225129D+01
      3   0.636798D+01
      4  -0.328391D+01
      5   0.935013D+01
      6  -0.787548D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 19:39:06 2022, MaxMem=  5368709120 cpu:           10479.2 elap:            1315.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17338 -19.16908 -19.16381 -19.16179 -19.15836
 Alpha  occ. eigenvalues --  -19.15294 -10.30273 -10.25296 -10.25115 -10.25088
 Alpha  occ. eigenvalues --  -10.24863 -10.23960  -1.08671  -1.04747  -1.03860
 Alpha  occ. eigenvalues --   -1.02556  -1.01663  -1.01279  -0.79480  -0.77967
 Alpha  occ. eigenvalues --   -0.69962  -0.65635  -0.63175  -0.59907  -0.57991
 Alpha  occ. eigenvalues --   -0.55037  -0.53799  -0.53014  -0.50617  -0.50560
 Alpha  occ. eigenvalues --   -0.48539  -0.47208  -0.45020  -0.43957  -0.42818
 Alpha  occ. eigenvalues --   -0.42085  -0.39602  -0.38748  -0.37692  -0.36248
 Alpha  occ. eigenvalues --   -0.35298  -0.34907  -0.33161  -0.31462  -0.30492
 Alpha  occ. eigenvalues --   -0.29625  -0.29249  -0.28146
 Alpha virt. eigenvalues --    0.00442   0.01096   0.01733   0.02356   0.04207
 Alpha virt. eigenvalues --    0.04746   0.05678   0.06268   0.07117   0.08027
 Alpha virt. eigenvalues --    0.09333   0.09833   0.10230   0.10713   0.11037
 Alpha virt. eigenvalues --    0.11756   0.11926   0.12857   0.13246   0.14407
 Alpha virt. eigenvalues --    0.14500   0.15041   0.15411   0.15783   0.16031
 Alpha virt. eigenvalues --    0.16612   0.17155   0.17630   0.18591   0.18954
 Alpha virt. eigenvalues --    0.20145   0.20509   0.21310   0.22316   0.23041
 Alpha virt. eigenvalues --    0.23574   0.24301   0.24638   0.24874   0.25107
 Alpha virt. eigenvalues --    0.26126   0.26718   0.26982   0.27140   0.28232
 Alpha virt. eigenvalues --    0.28717   0.29155   0.29172   0.29788   0.30383
 Alpha virt. eigenvalues --    0.31275   0.31702   0.32168   0.32354   0.32724
 Alpha virt. eigenvalues --    0.33151   0.34206   0.34875   0.35240   0.35639
 Alpha virt. eigenvalues --    0.36137   0.36259   0.36699   0.37449   0.37755
 Alpha virt. eigenvalues --    0.38519   0.38804   0.39685   0.39792   0.40331
 Alpha virt. eigenvalues --    0.41337   0.41667   0.42721   0.43083   0.43229
 Alpha virt. eigenvalues --    0.44337   0.45026   0.45966   0.46154   0.46501
 Alpha virt. eigenvalues --    0.47054   0.47673   0.48078   0.48743   0.49886
 Alpha virt. eigenvalues --    0.50168   0.50547   0.51505   0.52056   0.52824
 Alpha virt. eigenvalues --    0.52903   0.53098   0.53457   0.54141   0.54464
 Alpha virt. eigenvalues --    0.54999   0.55580   0.55832   0.56707   0.57194
 Alpha virt. eigenvalues --    0.57936   0.58380   0.58575   0.58968   0.60039
 Alpha virt. eigenvalues --    0.60775   0.61046   0.61289   0.62305   0.62893
 Alpha virt. eigenvalues --    0.63262   0.63751   0.64269   0.65369   0.65754
 Alpha virt. eigenvalues --    0.66114   0.66748   0.68402   0.69283   0.69794
 Alpha virt. eigenvalues --    0.70985   0.71390   0.71607   0.72474   0.73465
 Alpha virt. eigenvalues --    0.74550   0.74879   0.75561   0.76529   0.76914
 Alpha virt. eigenvalues --    0.77829   0.78670   0.79213   0.80143   0.80532
 Alpha virt. eigenvalues --    0.80871   0.82126   0.82842   0.83092   0.85009
 Alpha virt. eigenvalues --    0.85803   0.86488   0.87554   0.87794   0.88724
 Alpha virt. eigenvalues --    0.89829   0.92937   0.93217   0.94673   0.96356
 Alpha virt. eigenvalues --    0.98783   0.99689   1.00848   1.02820   1.03419
 Alpha virt. eigenvalues --    1.04252   1.05870   1.06544   1.07950   1.09330
 Alpha virt. eigenvalues --    1.10735   1.11554   1.13395   1.14195   1.15519
 Alpha virt. eigenvalues --    1.16635   1.18174   1.19630   1.21107   1.21292
 Alpha virt. eigenvalues --    1.26108   1.26851   1.28813   1.30079   1.31965
 Alpha virt. eigenvalues --    1.33903   1.35285   1.37978   1.38241   1.40140
 Alpha virt. eigenvalues --    1.40850   1.44720   1.47780   1.49381   1.50846
 Alpha virt. eigenvalues --    1.52285   1.54038   1.55794   1.57047   1.57980
 Alpha virt. eigenvalues --    1.59854   1.60558   1.61989   1.63420   1.63964
 Alpha virt. eigenvalues --    1.65639   1.66570   1.69243   1.71910   1.74251
 Alpha virt. eigenvalues --    1.75114   1.76664   1.78017   1.78911   1.82660
 Alpha virt. eigenvalues --    1.84171   1.84957   1.86274   1.86440   1.88566
 Alpha virt. eigenvalues --    1.90437   1.91969   1.93234   1.94859   1.95410
 Alpha virt. eigenvalues --    1.97341   1.97687   1.98486   1.99982   2.00192
 Alpha virt. eigenvalues --    2.01789   2.02150   2.04504   2.05115   2.05437
 Alpha virt. eigenvalues --    2.06606   2.08286   2.10135   2.11303   2.12150
 Alpha virt. eigenvalues --    2.13021   2.14619   2.16818   2.18210   2.19127
 Alpha virt. eigenvalues --    2.20029   2.20755   2.22984   2.23291   2.24933
 Alpha virt. eigenvalues --    2.26396   2.27289   2.28403   2.29767   2.31630
 Alpha virt. eigenvalues --    2.32119   2.33673   2.34767   2.35001   2.36207
 Alpha virt. eigenvalues --    2.37418   2.38579   2.39652   2.42582   2.43711
 Alpha virt. eigenvalues --    2.44874   2.47337   2.48960   2.51593   2.55329
 Alpha virt. eigenvalues --    2.57147   2.58844   2.59523   2.64276   2.66830
 Alpha virt. eigenvalues --    2.69822   2.71618   2.80954   2.88938   2.91670
 Alpha virt. eigenvalues --    2.93168   2.98253   3.00279   3.02271   3.03147
 Alpha virt. eigenvalues --    3.03406   3.04300   3.06755   3.07370   3.08249
 Alpha virt. eigenvalues --    3.08838   3.09944   3.10350   3.13178   3.14214
 Alpha virt. eigenvalues --    3.17353   3.18540   3.19398   3.21129   3.22316
 Alpha virt. eigenvalues --    3.24411   3.25759   3.29336   3.30807   3.47894
 Alpha virt. eigenvalues --    3.52812   3.53806   3.58357   3.59639   3.67705
 Alpha virt. eigenvalues --    3.78555   3.93335   3.95188   3.96306   3.97455
 Alpha virt. eigenvalues --    3.99783
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.717805  -0.388014  -0.555077  -0.245892   0.062892  -0.104942
     2  C   -0.388014   6.287399  -0.127766   0.018599  -0.060058  -0.297326
     3  C   -0.555077  -0.127766   6.759537  -0.010272  -0.125951  -0.044093
     4  C   -0.245892   0.018599  -0.010272   6.075436  -0.489977   0.188320
     5  O    0.062892  -0.060058  -0.125951  -0.489977  10.128485  -0.679072
     6  C   -0.104942  -0.297326  -0.044093   0.188320  -0.679072   5.862768
     7  O   -0.041923  -0.095788  -0.185270   0.053705   0.023301   0.013444
     8  H    0.480614  -0.036097  -0.028662  -0.093475   0.047142  -0.048337
     9  O   -0.135558   0.041672   0.000141   0.000405   0.057511  -0.102612
    10  H    0.134257   0.335834  -0.093411  -0.013918  -0.108915   0.162544
    11  H   -0.022730  -0.013808   0.277966   0.005253  -0.153589   0.027209
    12  O   -0.047145   0.009241  -0.213879  -0.086949   0.062192  -0.008485
    13  C    0.049319  -0.015482  -0.183548   0.260159  -0.007317   0.014759
    14  H   -0.121628   0.040730   0.204779   0.298001  -0.224136   0.027549
    15  O    0.072432  -0.147533  -0.015534  -0.095022   0.046519  -0.179489
    16  H   -0.088275   0.171171   0.001808   0.063550  -0.084070   0.396477
    17  H    0.053930  -0.039850   0.074799   0.002720  -0.004759   0.008525
    18  H    0.039663   0.044928   0.004491   0.002409   0.008217  -0.026492
    19  H   -0.033699   0.007709   0.140491   0.023077   0.001426  -0.000991
    20  O    0.002282  -0.001388  -0.142137   0.003075  -0.043844  -0.007116
    21  H    0.020953  -0.002291  -0.099926   0.055997   0.051706  -0.006305
    22  H   -0.004466  -0.000367   0.075203   0.131155  -0.025098   0.011810
    23  H   -0.004045   0.049038   0.000706   0.008966   0.004043   0.069253
    24  H    0.003778   0.000579  -0.018069  -0.008389   0.056034  -0.002290
               7          8          9         10         11         12
     1  C   -0.041923   0.480614  -0.135558   0.134257  -0.022730  -0.047145
     2  C   -0.095788  -0.036097   0.041672   0.335834  -0.013808   0.009241
     3  C   -0.185270  -0.028662   0.000141  -0.093411   0.277966  -0.213879
     4  C    0.053705  -0.093475   0.000405  -0.013918   0.005253  -0.086949
     5  O    0.023301   0.047142   0.057511  -0.108915  -0.153589   0.062192
     6  C    0.013444  -0.048337  -0.102612   0.162544   0.027209  -0.008485
     7  O    8.341044  -0.036237   0.042077  -0.062709  -0.094283   0.056534
     8  H   -0.036237   0.871726  -0.045019   0.009918   0.032391  -0.045201
     9  O    0.042077  -0.045019   8.268523  -0.045067  -0.005799   0.008325
    10  H   -0.062709   0.009918  -0.045067   0.961786  -0.030209  -0.000254
    11  H   -0.094283   0.032391  -0.005799  -0.030209   1.334817  -0.093565
    12  O    0.056534  -0.045201   0.008325  -0.000254  -0.093565   8.430366
    13  C    0.006364   0.005348   0.000541   0.005046  -0.061091   0.030213
    14  H    0.009155  -0.043551  -0.002844  -0.003887   0.055946  -0.056305
    15  O    0.003374   0.014179   0.022285  -0.043241  -0.004394   0.001527
    16  H    0.003360  -0.039271  -0.056143   0.016570  -0.002951  -0.002094
    17  H    0.176679  -0.006642   0.001290  -0.002051   0.005965  -0.002082
    18  H    0.002422   0.003630   0.189485  -0.018135  -0.000052  -0.000420
    19  H    0.004416  -0.000872   0.001306   0.000368  -0.020349   0.132124
    20  O    0.005289   0.002519   0.000891   0.002705   0.004849   0.026453
    21  H    0.000829   0.002260   0.000145   0.000182  -0.003257   0.017005
    22  H   -0.000428  -0.000131  -0.000073  -0.000287   0.008528  -0.000981
    23  H    0.000003  -0.000363   0.002419   0.001431   0.000353   0.000274
    24  H   -0.000311  -0.000123   0.000061   0.000863  -0.009494  -0.003826
              13         14         15         16         17         18
     1  C    0.049319  -0.121628   0.072432  -0.088275   0.053930   0.039663
     2  C   -0.015482   0.040730  -0.147533   0.171171  -0.039850   0.044928
     3  C   -0.183548   0.204779  -0.015534   0.001808   0.074799   0.004491
     4  C    0.260159   0.298001  -0.095022   0.063550   0.002720   0.002409
     5  O   -0.007317  -0.224136   0.046519  -0.084070  -0.004759   0.008217
     6  C    0.014759   0.027549  -0.179489   0.396477   0.008525  -0.026492
     7  O    0.006364   0.009155   0.003374   0.003360   0.176679   0.002422
     8  H    0.005348  -0.043551   0.014179  -0.039271  -0.006642   0.003630
     9  O    0.000541  -0.002844   0.022285  -0.056143   0.001290   0.189485
    10  H    0.005046  -0.003887  -0.043241   0.016570  -0.002051  -0.018135
    11  H   -0.061091   0.055946  -0.004394  -0.002951   0.005965  -0.000052
    12  O    0.030213  -0.056305   0.001527  -0.002094  -0.002082  -0.000420
    13  C    4.276801  -0.149512   0.002775   0.004375  -0.000198   0.000026
    14  H   -0.149512   1.190488  -0.026167   0.023824  -0.000213   0.000375
    15  O    0.002775  -0.026167   8.649209  -0.105988  -0.000028  -0.003959
    16  H    0.004375   0.023824  -0.105988   1.005800   0.000473   0.003495
    17  H   -0.000198  -0.000213  -0.000028   0.000473   0.592288  -0.000461
    18  H    0.000026   0.000375  -0.003959   0.003495  -0.000461   0.599112
    19  H    0.001774   0.001132   0.000034   0.000088  -0.002616   0.000007
    20  O    0.147750  -0.009508   0.002399  -0.001844  -0.000255  -0.000007
    21  H    0.173548  -0.004387   0.001210  -0.000841  -0.000021  -0.000003
    22  H    0.114692   0.011422  -0.002890  -0.001084   0.000003   0.000002
    23  H   -0.001293   0.002801   0.072740  -0.019324   0.000015   0.000028
    24  H    0.042229   0.003634  -0.001558  -0.000982  -0.000005  -0.000012
              19         20         21         22         23         24
     1  C   -0.033699   0.002282   0.020953  -0.004466  -0.004045   0.003778
     2  C    0.007709  -0.001388  -0.002291  -0.000367   0.049038   0.000579
     3  C    0.140491  -0.142137  -0.099926   0.075203   0.000706  -0.018069
     4  C    0.023077   0.003075   0.055997   0.131155   0.008966  -0.008389
     5  O    0.001426  -0.043844   0.051706  -0.025098   0.004043   0.056034
     6  C   -0.000991  -0.007116  -0.006305   0.011810   0.069253  -0.002290
     7  O    0.004416   0.005289   0.000829  -0.000428   0.000003  -0.000311
     8  H   -0.000872   0.002519   0.002260  -0.000131  -0.000363  -0.000123
     9  O    0.001306   0.000891   0.000145  -0.000073   0.002419   0.000061
    10  H    0.000368   0.002705   0.000182  -0.000287   0.001431   0.000863
    11  H   -0.020349   0.004849  -0.003257   0.008528   0.000353  -0.009494
    12  O    0.132124   0.026453   0.017005  -0.000981   0.000274  -0.003826
    13  C    0.001774   0.147750   0.173548   0.114692  -0.001293   0.042229
    14  H    0.001132  -0.009508  -0.004387   0.011422   0.002801   0.003634
    15  O    0.000034   0.002399   0.001210  -0.002890   0.072740  -0.001558
    16  H    0.000088  -0.001844  -0.000841  -0.001084  -0.019324  -0.000982
    17  H   -0.002616  -0.000255  -0.000021   0.000003   0.000015  -0.000005
    18  H    0.000007  -0.000007  -0.000003   0.000002   0.000028  -0.000012
    19  H    0.628800  -0.002310  -0.002726  -0.000383  -0.000007   0.000293
    20  O   -0.002310   8.299962  -0.002892   0.007899  -0.000372   0.200841
    21  H   -0.002726  -0.002892   1.088000  -0.088167   0.000006   0.004736
    22  H   -0.000383   0.007899  -0.088167   0.934976   0.000352  -0.026429
    23  H   -0.000007  -0.000372   0.000006   0.000352   0.645526   0.000257
    24  H    0.000293   0.200841   0.004736  -0.026429   0.000257   0.536131
 Mulliken charges:
               1
     1  C    0.155471
     2  C    0.218868
     3  C    0.303676
     4  C   -0.146936
     5  O   -0.542680
     6  C    0.724893
     7  O   -0.225048
     8  H   -0.045747
     9  O   -0.243961
    10  H   -0.209419
    11  H   -0.237706
    12  O   -0.213068
    13  C    1.282722
    14  H   -0.227699
    15  O   -0.262879
    16  H   -0.288126
    17  H    0.142494
    18  H    0.151248
    19  H    0.120910
    20  O   -0.495239
    21  H   -0.205763
    22  H   -0.145257
    23  H    0.167194
    24  H    0.222053
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.109724
     2  C    0.009449
     3  C    0.065970
     4  C   -0.374635
     5  O   -0.542680
     6  C    0.436767
     7  O   -0.082555
     9  O   -0.092712
    12  O   -0.092158
    13  C    0.931702
    15  O   -0.095686
    20  O   -0.273187
 Electronic spatial extent (au):  <R**2>=           2124.1929
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.3682    Y=             -2.3800    Z=             -2.6187  Tot=              4.8854
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -78.8023   YY=            -66.6778   ZZ=            -72.0540
   XY=              0.3243   XZ=             -3.5561   YZ=              3.9233
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.2909   YY=              5.8336   ZZ=              0.4573
   XY=              0.3243   XZ=             -3.5561   YZ=              3.9233
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -51.1053  YYY=            -16.4475  ZZZ=              0.7162  XYY=            -15.7525
  XXY=             -7.8160  XXZ=            -10.0033  XZZ=             -6.6596  YZZ=             -9.9198
  YYZ=            -11.2140  XYZ=             -0.2056
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1502.4645 YYYY=           -789.7206 ZZZZ=           -207.7655 XXXY=             26.3312
 XXXZ=            -93.4397 YYYX=             20.5378 YYYZ=             29.0697 ZZZX=              3.6936
 ZZZY=             -2.7925 XXYY=           -364.8773 XXZZ=           -295.1630 YYZZ=           -195.2411
 XXYZ=             19.4689 YYXZ=             34.6251 ZZXY=             -1.9400
 N-N= 8.309567917428D+02 E-N=-3.270742639841D+03  KE= 6.803974031265D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 19:39:06 2022, MaxMem=  5368709120 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.32696465D+00-9.17078247D-01-9.50671358D-01
 Polarizability= 1.27409060D+02 2.83209338D+00 1.21810999D+02
                -2.33453401D+00-2.56793503D-01 1.09858488D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.7334    0.7326        0.8209    0.8215
 2     -0.7334   -0.7326        0.1577    0.1576       -3.4990   -3.4991
 3     -0.8209   -0.8215       11.2864   11.2857       -0.1575   -0.1576
 4     -0.1577   -0.1576       -0.0000    0.0000       -0.8207   -0.8215
 5     -7.7874   -7.7866        0.8207    0.8215        0.7321    0.7326
 6      0.1575    0.1576       -0.7321   -0.7326       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.1978   -2.1978        2.4645    2.4645
 2     -0.4728   -0.4728       -0.0000    0.0000        2.4645    2.4645
 3     -0.4728   -0.4728       -2.1978   -2.1978       -0.0000    0.0000
 4     -2.1978   -2.1978        0.4728    0.4728      -10.4973  -10.4973
 5     -2.4645   -2.4645       33.8572   33.8572       -0.4728   -0.4728
 6    -23.3598  -23.3598        2.4645    2.4645        2.1978    2.1978
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0214    0.0000       -2.9599   -2.9304       -3.2099   -3.2860
 2      2.9046    2.9304       -0.7350   -0.6304       14.0002   13.9965
 3      3.3306    3.2860      -45.2570  -45.1429        0.6060    0.6304
 4      0.6608    0.6304        0.1261    0.0000        3.3756    3.2860
 5     31.2452   31.1464       -3.1441   -3.2860       -3.1331   -2.9304
 6     -0.4209   -0.6304        2.8846    2.9304       -0.0989    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0399    0.0000        0.4012    0.4019       -2.4640   -2.4721
 2     -0.4120   -0.4019        5.9633    6.1127       10.3080   10.1732
 3      2.4952    2.4721       -0.5094   -0.5344       -6.0687   -6.1127
 4     -6.1975   -6.1127        0.1218    0.0000        2.4016    2.4721
 5     -9.7433   -9.6388       -2.4874   -2.4721        0.4691    0.4019
 6      6.1485    6.1127       -0.5303   -0.4019        0.0215    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -27.3290  -27.0592        8.6163    8.6746       -0.1858   -0.0315
 2    -40.1926  -39.8488       15.2682   15.0268       -0.2566   -0.0315
 3    -40.1528  -39.8488        8.9248    8.6746        1.2810    1.4422
 4     -6.6482   -6.3522       12.8629   12.7896        7.1396    7.3313
 5      1.1408    1.4738        1.9571    1.7593      -13.2184  -12.7896
 6     -9.3854   -9.0906       -1.3728   -1.4738        5.9954    6.3522
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.0866   -0.0007    0.0005    0.0007    2.3241    5.7630
 Low frequencies ---   66.6552   86.0877  110.7745
 Diagonal vibrational polarizability:
      142.8434699     102.4175343     181.7094077
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     66.6450                86.0825               110.7678
 Red. masses --      5.9836                 5.2109                 6.7199
 Frc consts  --      0.0157                 0.0228                 0.0486
 IR Inten    --      1.2065                 4.3198                 2.4920
 RamAct Fr= 1--      0.0492                 0.2445                 0.0458
  Dep-P Fr= 1--      0.7099                 0.7495                 0.7136
  Dep-U Fr= 1--      0.8304                 0.8568                 0.8329
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0068                 0.0349                 0.0064
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--     -0.0044                 0.0788                 0.0455
 Delta2 Fr= 1--     -0.0041                -0.0182                 0.0207
 Raman1 Fr= 1--       0.197                  0.978                  0.183
 ROA1   Fr= 1--      -0.558                  6.984                  5.030
 CID1   Fr= 1--      -2.834                  7.142                 27.469
 Raman2 Fr= 1--       0.082                  0.419                  0.076
 ROA2   Fr= 1--      -0.073                  2.038                  0.925
 CID2   Fr= 1--      -0.896                  4.864                 12.137
 Raman3 Fr= 1--       0.163                  0.838                  0.152
 ROA3   Fr= 1--      -0.558                  6.984                  5.030
 CID3   Fr= 1--      -3.414                  8.335                 32.982
 RC180  Fr= 1--       0.661                  0.714                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01  -0.02   0.06    -0.01   0.04   0.10
     2   6     0.07  -0.02   0.07    -0.02  -0.02  -0.00    -0.04   0.00  -0.06
     3   6     0.02   0.04  -0.11     0.02  -0.06  -0.02     0.02   0.07  -0.06
     4   6     0.05   0.02  -0.04    -0.02  -0.09   0.02     0.00   0.02   0.02
     5   8     0.02   0.00  -0.11    -0.05  -0.05   0.07     0.03   0.06   0.13
     6   6     0.02   0.04  -0.07    -0.03   0.00  -0.04     0.04  -0.01   0.05
     7   8     0.03  -0.00   0.03     0.08  -0.05   0.16     0.04  -0.07   0.33
     8   1    -0.10  -0.02   0.02    -0.03   0.06   0.08    -0.08   0.21   0.14
     9   8     0.02  -0.03   0.29    -0.01   0.03  -0.01     0.01   0.01  -0.30
    10   1     0.24  -0.07   0.05    -0.04  -0.06  -0.00    -0.23  -0.00  -0.04
    11   1     0.10   0.15  -0.12     0.07  -0.01  -0.03     0.15   0.19  -0.08
    12   8    -0.05   0.01  -0.26     0.02  -0.10  -0.10    -0.09   0.02  -0.29
    13   6     0.02   0.01   0.16    -0.01  -0.06   0.01     0.01   0.02   0.01
    14   1     0.17   0.01  -0.05    -0.03  -0.14   0.02    -0.03  -0.06   0.02
    15   8     0.03  -0.01  -0.17    -0.12  -0.01  -0.17     0.06   0.00   0.09
    16   1    -0.01   0.15  -0.06     0.06   0.08  -0.05     0.10  -0.08   0.03
    17   1     0.01  -0.05   0.13     0.09   0.03   0.17     0.06   0.03   0.32
    18   1     0.10  -0.09   0.26    -0.03   0.01  -0.09    -0.07   0.06  -0.31
    19   1     0.03   0.03  -0.22     0.11  -0.07  -0.06     0.05   0.05  -0.20
    20   8    -0.22  -0.06   0.20     0.12   0.37   0.04    -0.05  -0.16   0.00
    21   1     0.07   0.03   0.30    -0.02  -0.18  -0.29     0.00   0.07   0.14
    22   1     0.11   0.03   0.17    -0.09  -0.23   0.26     0.04   0.09  -0.08
    23   1    -0.02   0.06  -0.26    -0.11   0.03  -0.22     0.16  -0.04   0.16
    24   1    -0.33  -0.02   0.07     0.28   0.35   0.29    -0.14  -0.12  -0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    138.5396               182.9645               227.4107
 Red. masses --      5.7822                 1.5723                 2.1871
 Frc consts  --      0.0654                 0.0310                 0.0666
 IR Inten    --      3.6962               118.1568                25.1402
 RamAct Fr= 1--      0.0741                 0.5098                 0.3647
  Dep-P Fr= 1--      0.7058                 0.7035                 0.6941
  Dep-U Fr= 1--      0.8276                 0.8259                 0.8194
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0004
 Beta2  Fr= 1--      0.0102                 0.0702                 0.0498
 AlphaG Fr= 1--     -0.0000                -0.0017                 0.0018
 Gamma2 Fr= 1--     -0.0012                 0.0243                -0.0957
 Delta2 Fr= 1--     -0.0226                 0.0856                -0.1327
 Raman1 Fr= 1--       0.296                  2.039                  1.459
 ROA1   Fr= 1--      -0.835                  5.071                -13.435
 CID1   Fr= 1--      -2.816                  2.487                 -9.208
 Raman2 Fr= 1--       0.123                  0.842                  0.598
 ROA2   Fr= 1--       0.153                 -0.102                 -1.235
 CID2   Fr= 1--       1.246                 -0.121                 -2.066
 Raman3 Fr= 1--       0.245                  1.684                  1.196
 ROA3   Fr= 1--      -0.835                  5.071                -13.435
 CID3   Fr= 1--      -3.403                  3.011                -11.238
 RC180  Fr= 1--       0.655                  0.652                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.02    -0.02   0.01   0.01     0.02  -0.06   0.03
     2   6    -0.02   0.00   0.07    -0.01   0.01   0.02    -0.05  -0.02   0.04
     3   6    -0.01   0.06   0.05    -0.01  -0.02  -0.01     0.01  -0.03   0.00
     4   6    -0.00   0.00   0.17    -0.00  -0.01  -0.01     0.01  -0.00  -0.02
     5   8    -0.00   0.05   0.27     0.01  -0.01  -0.00    -0.01   0.03   0.02
     6   6     0.04   0.05   0.03     0.01   0.02   0.01    -0.02  -0.02   0.02
     7   8    -0.09   0.06  -0.12     0.11   0.06   0.02     0.11   0.01  -0.03
     8   1     0.01  -0.11   0.00    -0.04   0.03   0.02     0.01  -0.10   0.02
     9   8    -0.02  -0.02   0.07    -0.02  -0.12   0.00    -0.02   0.11  -0.03
    10   1    -0.01  -0.00   0.06    -0.01   0.02   0.02    -0.10  -0.03   0.04
    11   1     0.01   0.20   0.06    -0.02  -0.04  -0.01     0.03  -0.05  -0.00
    12   8    -0.07   0.02  -0.11    -0.03   0.01   0.03    -0.11   0.07   0.03
    13   6     0.03  -0.01  -0.00    -0.00   0.01  -0.00    -0.00  -0.05  -0.01
    14   1    -0.08  -0.07   0.17    -0.01  -0.01  -0.01     0.00  -0.01  -0.02
    15   8    -0.08  -0.01  -0.25    -0.02   0.03   0.00     0.09  -0.10  -0.05
    16   1     0.25   0.19   0.01     0.00   0.03   0.02    -0.01   0.03   0.02
    17   1    -0.08   0.04  -0.21     0.27   0.54  -0.43     0.18   0.23  -0.23
    18   1     0.02  -0.12  -0.08     0.14  -0.40  -0.39    -0.21   0.40   0.34
    19   1    -0.12   0.04  -0.24    -0.20  -0.02  -0.10    -0.45  -0.00  -0.19
    20   8     0.23  -0.19  -0.06    -0.02   0.00  -0.00    -0.02   0.01   0.00
    21   1    -0.02   0.05   0.02    -0.01   0.02   0.01     0.04  -0.10  -0.05
    22   1    -0.02   0.07  -0.15     0.02   0.02  -0.01    -0.05  -0.10   0.04
    23   1    -0.01   0.09  -0.35    -0.13   0.05  -0.05     0.36  -0.10   0.01
    24   1     0.30  -0.25  -0.07    -0.03   0.00  -0.02    -0.09   0.09   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    242.9141               261.9949               278.7670
 Red. masses --      3.3350                 2.1537                 1.7874
 Frc consts  --      0.1159                 0.0871                 0.0818
 IR Inten    --      4.1678                 4.8310               129.9827
 RamAct Fr= 1--      0.8797                 0.1949                 0.6133
  Dep-P Fr= 1--      0.2082                 0.3348                 0.1875
  Dep-U Fr= 1--      0.3447                 0.5017                 0.3159
 Alpha2 Fr= 1--      0.0117                 0.0018                 0.0086
 Beta2  Fr= 1--      0.0505                 0.0163                 0.0323
 AlphaG Fr= 1--     -0.0020                 0.0020                 0.0210
 Gamma2 Fr= 1--     -0.1548                 0.0894                -0.1875
 Delta2 Fr= 1--      0.0221                 0.0673                -0.1225
 Raman1 Fr= 1--       3.519                  0.780                  2.453
 ROA1   Fr= 1--     -14.153                 10.738                -21.923
 CID1   Fr= 1--      -4.022                 13.771                 -8.936
 Raman2 Fr= 1--       0.606                  0.196                  0.387
 ROA2   Fr= 1--      -3.892                  1.607                 -3.521
 CID2   Fr= 1--      -6.418                  8.218                 -9.089
 Raman3 Fr= 1--       1.213                  0.391                  0.775
 ROA3   Fr= 1--     -14.153                 10.738                -21.923
 CID3   Fr= 1--     -11.670                 27.449                -28.291
 RC180  Fr= 1--      -0.311                  0.003                 -0.368
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.01     0.00  -0.01   0.00    -0.06   0.05  -0.06
     2   6     0.02  -0.00   0.02    -0.01  -0.01   0.02    -0.06   0.02  -0.06
     3   6     0.02   0.02  -0.02    -0.03  -0.05   0.00    -0.04  -0.00  -0.05
     4   6    -0.05   0.01  -0.03    -0.04  -0.03   0.00     0.00  -0.00   0.00
     5   8     0.02   0.07   0.21     0.01  -0.05   0.04    -0.02   0.04   0.01
     6   6     0.07   0.00   0.05    -0.00  -0.03   0.02    -0.01   0.02  -0.04
     7   8    -0.00   0.02  -0.01     0.07   0.02  -0.01     0.04   0.02   0.04
     8   1    -0.01   0.01  -0.01    -0.01  -0.02   0.00    -0.08   0.12  -0.05
     9   8     0.02  -0.06   0.01     0.01   0.04  -0.02    -0.10  -0.07   0.04
    10   1     0.02   0.04   0.02    -0.03   0.01   0.02     0.00   0.04  -0.07
    11   1     0.01  -0.04  -0.02    -0.03  -0.07   0.00    -0.10  -0.01  -0.04
    12   8     0.12  -0.02   0.05     0.04  -0.10  -0.00     0.05  -0.04   0.00
    13   6    -0.07  -0.04  -0.11     0.01   0.23  -0.00     0.01  -0.01   0.03
    14   1    -0.21  -0.11  -0.02    -0.08  -0.05   0.01     0.06  -0.03  -0.01
    15   8     0.05  -0.05  -0.09    -0.03  -0.04  -0.03     0.04   0.01  -0.01
    16   1     0.20   0.04   0.04     0.03  -0.01   0.02     0.02  -0.01  -0.05
    17   1    -0.03  -0.05   0.07     0.08   0.07  -0.01     0.08   0.20  -0.03
    18   1     0.05  -0.08   0.01    -0.09   0.22   0.24    -0.07   0.04   0.35
    19   1     0.29   0.01   0.18     0.05  -0.07  -0.07     0.32  -0.02   0.28
    20   8    -0.20   0.04  -0.08    -0.06   0.02  -0.02     0.06  -0.02   0.02
    21   1     0.00  -0.11  -0.15    -0.20   0.48   0.21     0.01  -0.01   0.02
    22   1    -0.15  -0.11  -0.04     0.32   0.42  -0.16    -0.01  -0.01   0.02
    23   1     0.22  -0.02  -0.09    -0.04  -0.01  -0.06     0.62  -0.14   0.30
    24   1    -0.57   0.39  -0.03     0.13  -0.24  -0.22     0.16  -0.12   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    290.8179               310.9008               318.3670
 Red. masses --      2.6616                 1.6536                 1.3138
 Frc consts  --      0.1326                 0.0942                 0.0785
 IR Inten    --     46.4566                96.9733               179.3267
 RamAct Fr= 1--      0.7396                 1.1045                 0.3442
  Dep-P Fr= 1--      0.5467                 0.4956                 0.3401
  Dep-U Fr= 1--      0.7070                 0.6627                 0.5076
 Alpha2 Fr= 1--      0.0029                 0.0056                 0.0031
 Beta2  Fr= 1--      0.0871                 0.1220                 0.0291
 AlphaG Fr= 1--     -0.0079                -0.0131                -0.0074
 Gamma2 Fr= 1--      0.1908                -0.1732                 0.3367
 Delta2 Fr= 1--      0.1711                 0.1852                 0.1271
 Raman1 Fr= 1--       2.959                  4.418                  1.377
 ROA1   Fr= 1--      23.790                -10.703                 36.392
 CID1   Fr= 1--       8.041                 -2.423                 26.429
 Raman2 Fr= 1--       1.046                  1.464                  0.349
 ROA2   Fr= 1--       3.211                 -5.639                  7.064
 CID2   Fr= 1--       3.070                 -3.852                 20.213
 Raman3 Fr= 1--       2.092                  2.928                  0.699
 ROA3   Fr= 1--      23.790                -10.703                 36.392
 CID3   Fr= 1--      11.374                 -3.655                 52.067
 RC180  Fr= 1--       0.414                  0.325                  0.015
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.11     0.02  -0.01  -0.03    -0.01   0.04  -0.03
     2   6     0.02   0.01  -0.08     0.04  -0.01  -0.05     0.02   0.00  -0.06
     3   6    -0.02  -0.03  -0.10     0.01   0.00   0.00    -0.00   0.03  -0.01
     4   6     0.04  -0.04  -0.04    -0.00  -0.01   0.00    -0.00   0.01   0.01
     5   8     0.02   0.01   0.11     0.00  -0.01   0.03     0.01   0.00   0.01
     6   6     0.03  -0.01  -0.02     0.01  -0.02  -0.04     0.01  -0.02  -0.02
     7   8     0.13  -0.05  -0.00    -0.07  -0.09   0.04    -0.05  -0.03   0.06
     8   1    -0.05   0.05  -0.09     0.04   0.04  -0.02     0.00   0.10  -0.02
     9   8    -0.01  -0.06   0.02     0.04   0.07   0.06     0.01  -0.05  -0.01
    10   1     0.09   0.04  -0.08     0.11  -0.04  -0.06     0.06   0.03  -0.06
    11   1    -0.10  -0.10  -0.08    -0.00  -0.00   0.00    -0.04   0.04  -0.00
    12   8    -0.09   0.11   0.08     0.03   0.00   0.02     0.06   0.01   0.01
    13   6     0.05   0.01  -0.00    -0.00   0.02  -0.01    -0.01  -0.01   0.00
    14   1     0.03  -0.17  -0.05    -0.03  -0.02   0.00    -0.00   0.00   0.01
    15   8    -0.11   0.09   0.01    -0.07   0.05  -0.00    -0.01   0.00   0.02
    16   1     0.13  -0.07  -0.03     0.08  -0.07  -0.06     0.02  -0.07  -0.02
    17   1    -0.03  -0.36   0.63     0.01   0.09  -0.29     0.06   0.24  -0.34
    18   1     0.03   0.01   0.24     0.07  -0.09  -0.25    -0.05   0.26   0.61
    19   1    -0.34   0.01   0.03    -0.32   0.00  -0.41    -0.15   0.02  -0.27
    20   8     0.00  -0.01   0.00    -0.03   0.01  -0.01     0.01  -0.01  -0.00
    21   1     0.02   0.05   0.04    -0.03   0.05   0.01     0.02  -0.04  -0.02
    22   1     0.11   0.03  -0.01     0.04   0.04  -0.02    -0.05  -0.03   0.01
    23   1    -0.17   0.03   0.07     0.53  -0.17   0.40    -0.42   0.09  -0.18
    24   1    -0.05   0.02  -0.02    -0.02  -0.01  -0.03    -0.08   0.09   0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    330.9639               346.9335               361.4006
 Red. masses --      1.7791                 1.8515                 1.4683
 Frc consts  --      0.1148                 0.1313                 0.1130
 IR Inten    --     46.4988               145.5595               206.6404
 RamAct Fr= 1--      0.6999                 0.3725                 1.2673
  Dep-P Fr= 1--      0.5478                 0.2264                 0.6367
  Dep-U Fr= 1--      0.7078                 0.3692                 0.7780
 Alpha2 Fr= 1--      0.0027                 0.0047                 0.0026
 Beta2  Fr= 1--      0.0826                 0.0229                 0.1643
 AlphaG Fr= 1--     -0.0069                -0.0089                -0.0019
 Gamma2 Fr= 1--     -0.5231                -0.1499                 0.2938
 Delta2 Fr= 1--     -0.3507                -0.1320                 0.2212
 Raman1 Fr= 1--       2.800                  1.490                  5.069
 ROA1   Fr= 1--     -61.437                -18.608                 35.282
 CID1   Fr= 1--     -21.945                -12.490                  6.960
 Raman2 Fr= 1--       0.991                  0.275                  1.972
 ROA2   Fr= 1--      -9.748                 -2.541                  5.281
 CID2   Fr= 1--      -9.838                 -9.238                  2.678
 Raman3 Fr= 1--       1.982                  0.550                  3.944
 ROA3   Fr= 1--     -61.437                -18.608                 35.282
 CID3   Fr= 1--     -31.004                -33.827                  8.946
 RC180  Fr= 1--       0.416                 -0.262                  0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03  -0.06     0.02  -0.03   0.06    -0.03  -0.00  -0.02
     2   6    -0.00  -0.02  -0.05     0.03  -0.01   0.05    -0.05   0.00  -0.02
     3   6     0.01   0.01  -0.06     0.02  -0.02   0.03    -0.03  -0.02  -0.00
     4   6     0.02  -0.01  -0.02     0.03  -0.01  -0.00     0.02   0.01   0.01
     5   8    -0.01   0.03   0.06     0.04  -0.06  -0.03     0.00   0.01  -0.02
     6   6    -0.02  -0.05  -0.01     0.02   0.02   0.02    -0.02  -0.00  -0.01
     7   8    -0.01  -0.10   0.02    -0.03  -0.01  -0.02     0.02  -0.01   0.01
     8   1     0.00   0.01  -0.05     0.05  -0.08   0.04    -0.03   0.01  -0.02
     9   8    -0.01   0.11   0.06     0.05  -0.04  -0.05    -0.06   0.05   0.03
    10   1     0.06  -0.02  -0.06    -0.02  -0.02   0.05    -0.03   0.00  -0.02
    11   1    -0.00  -0.01  -0.06     0.08  -0.00   0.02    -0.07   0.00   0.01
    12   8    -0.03   0.07  -0.00    -0.09   0.01  -0.03     0.02  -0.06   0.00
    13   6     0.02   0.02   0.01     0.04   0.02  -0.02     0.04   0.06   0.01
    14   1     0.02  -0.08  -0.03     0.01   0.01   0.00     0.05   0.01   0.01
    15   8     0.01  -0.06   0.02    -0.11   0.09  -0.02     0.03  -0.02   0.01
    16   1     0.02  -0.12  -0.02     0.03   0.08   0.02    -0.02  -0.03  -0.01
    17   1     0.12   0.22  -0.38     0.04   0.12  -0.30    -0.01  -0.03   0.11
    18   1     0.00  -0.03  -0.25    -0.03   0.18   0.33    -0.03  -0.07  -0.19
    19   1     0.37   0.02   0.60     0.28  -0.02   0.49    -0.04  -0.03  -0.15
    20   8     0.00  -0.00   0.01     0.01  -0.01  -0.01     0.09  -0.05  -0.00
    21   1    -0.00   0.05   0.03     0.02   0.04   0.01    -0.00   0.11   0.05
    22   1     0.07   0.04  -0.01     0.06   0.03  -0.03     0.07   0.10  -0.06
    23   1    -0.32   0.02  -0.14     0.22  -0.04   0.21    -0.07   0.01  -0.04
    24   1     0.05  -0.06  -0.03    -0.35   0.35   0.06    -0.61   0.66   0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    411.1216               423.0697               454.3415
 Red. masses --      4.1276                 5.9848                 5.4838
 Frc consts  --      0.4110                 0.6311                 0.6670
 IR Inten    --     17.3752                 1.2919                 5.7067
 RamAct Fr= 1--      3.1619                 3.7901                 4.2498
  Dep-P Fr= 1--      0.7126                 0.5796                 0.0917
  Dep-U Fr= 1--      0.8322                 0.7338                 0.1680
 Alpha2 Fr= 1--      0.0020                 0.0121                 0.0759
 Beta2  Fr= 1--      0.4385                 0.4636                 0.1190
 AlphaG Fr= 1--      0.0032                 0.0009                -0.0165
 Gamma2 Fr= 1--     -0.1235                -0.0629                -0.1690
 Delta2 Fr= 1--      0.0206                -0.0485                -0.0617
 Raman1 Fr= 1--      12.648                 15.161                 16.999
 ROA1   Fr= 1--     -11.200                 -7.589                -18.196
 CID1   Fr= 1--      -0.886                 -0.501                 -1.070
 Raman2 Fr= 1--       5.262                  5.563                  1.428
 ROA2   Fr= 1--      -3.129                 -1.121                 -3.562
 CID2   Fr= 1--      -0.595                 -0.201                 -2.495
 Raman3 Fr= 1--      10.525                 11.125                  2.856
 ROA3   Fr= 1--     -11.200                 -7.589                -18.196
 CID3   Fr= 1--      -1.064                 -0.682                 -6.372
 RC180  Fr= 1--       0.664                  0.468                 -0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.02   0.01     0.09  -0.17   0.07     0.07  -0.11   0.04
     2   6     0.06  -0.09  -0.11    -0.14  -0.07   0.12    -0.04  -0.02  -0.15
     3   6     0.05   0.14   0.13     0.20   0.04  -0.02     0.03  -0.09   0.23
     4   6    -0.09   0.10   0.14     0.10   0.09  -0.08     0.02   0.08   0.10
     5   8    -0.08  -0.02  -0.02    -0.09   0.21  -0.01     0.01   0.13   0.05
     6   6    -0.07  -0.16  -0.10    -0.16   0.06   0.07     0.06   0.08  -0.17
     7   8     0.15   0.06  -0.04     0.03  -0.18  -0.05     0.07  -0.10  -0.06
     8   1     0.21   0.03  -0.01     0.09  -0.28   0.04     0.35  -0.08  -0.01
     9   8     0.05  -0.06   0.02    -0.15  -0.12  -0.04    -0.10   0.00   0.06
    10   1     0.13  -0.18  -0.12    -0.26  -0.06   0.13     0.02  -0.21  -0.18
    11   1     0.06   0.30   0.13     0.29   0.02  -0.04     0.08   0.01   0.22
    12   8     0.01   0.10  -0.06     0.20   0.09  -0.02    -0.14  -0.19  -0.05
    13   6    -0.12   0.05   0.02     0.10   0.05  -0.01    -0.02  -0.00  -0.05
    14   1    -0.12   0.23   0.16     0.12   0.10  -0.07    -0.08   0.25   0.13
    15   8    -0.10  -0.13   0.02    -0.13   0.00   0.01     0.13   0.20   0.05
    16   1    -0.07  -0.29  -0.11    -0.23   0.14   0.09     0.16  -0.08  -0.19
    17   1     0.10  -0.01   0.18     0.04  -0.19  -0.15     0.07  -0.11  -0.05
    18   1     0.08  -0.07   0.05    -0.14  -0.08   0.08    -0.02  -0.02   0.14
    19   1     0.16   0.13   0.05     0.01   0.09  -0.24     0.04  -0.13  -0.00
    20   8     0.03  -0.01  -0.02    -0.01   0.02   0.01    -0.09   0.04  -0.04
    21   1    -0.14   0.05  -0.01     0.09   0.10   0.08     0.05  -0.07  -0.09
    22   1    -0.19   0.07  -0.05     0.21   0.09  -0.02    -0.12  -0.05  -0.03
    23   1     0.09  -0.25   0.21    -0.01   0.01   0.02    -0.31   0.16   0.01
    24   1    -0.11   0.16   0.08     0.01  -0.05  -0.09     0.04  -0.11  -0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    516.4446               567.2524               588.9655
 Red. masses --      5.3481                 3.3147                 3.9924
 Frc consts  --      0.8404                 0.6284                 0.8160
 IR Inten    --     46.6324                 6.4137                42.6718
 RamAct Fr= 1--     13.4946                 1.3553                 0.3088
  Dep-P Fr= 1--      0.1070                 0.2767                 0.7137
  Dep-U Fr= 1--      0.1933                 0.4334                 0.8329
 Alpha2 Fr= 1--      0.2322                 0.0149                 0.0002
 Beta2  Fr= 1--      0.4348                 0.0979                 0.0429
 AlphaG Fr= 1--      0.0178                 0.0048                 0.0000
 Gamma2 Fr= 1--      0.2540                 0.1343                 0.1835
 Delta2 Fr= 1--     -0.0083                 0.1201                 0.0262
 Raman1 Fr= 1--      53.978                  5.421                  1.235
 ROA1   Fr= 1--      24.124                 16.737                 18.456
 CID1   Fr= 1--       0.447                  3.087                 14.944
 Raman2 Fr= 1--       5.217                  1.175                  0.514
 ROA2   Fr= 1--       6.163                  2.263                  4.194
 CID2   Fr= 1--       1.181                  1.926                  8.155
 Raman3 Fr= 1--      10.434                  2.350                  1.029
 ROA3   Fr= 1--      24.124                 16.737                 18.456
 CID3   Fr= 1--       2.312                  7.123                 17.942
 RC180  Fr= 1--      -0.613                 -0.133                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.15    -0.13  -0.06  -0.05    -0.08  -0.05   0.16
     2   6    -0.11  -0.03  -0.11    -0.04  -0.07   0.05     0.04  -0.18   0.03
     3   6     0.12  -0.01   0.06    -0.13   0.08   0.00    -0.06  -0.04  -0.11
     4   6     0.14  -0.07  -0.05     0.06   0.18   0.05    -0.02   0.04  -0.14
     5   8     0.12  -0.11   0.04     0.18  -0.00  -0.04    -0.05   0.19   0.06
     6   6     0.05  -0.14  -0.08     0.10  -0.07   0.07     0.01  -0.06  -0.16
     7   8    -0.10   0.23   0.01     0.07  -0.05  -0.01    -0.02   0.14  -0.02
     8   1     0.15   0.14   0.13    -0.29  -0.12  -0.03    -0.29  -0.14   0.18
     9   8    -0.22   0.04   0.06    -0.03   0.07   0.00     0.14   0.01  -0.01
    10   1    -0.15  -0.23  -0.13    -0.08  -0.04   0.06     0.03  -0.57  -0.02
    11   1     0.30  -0.03   0.02    -0.30   0.17   0.04     0.04  -0.23  -0.13
    12   8     0.02   0.07  -0.02     0.05  -0.05   0.00     0.02  -0.07   0.03
    13   6     0.19  -0.05  -0.07     0.03  -0.01  -0.02    -0.01   0.01   0.04
    14   1     0.03  -0.09  -0.03     0.05   0.26   0.05     0.06  -0.10  -0.16
    15   8    -0.07  -0.05   0.02    -0.13  -0.00  -0.01    -0.03   0.04   0.04
    16   1     0.19  -0.30  -0.11     0.14  -0.05   0.06     0.06  -0.18  -0.17
    17   1    -0.14   0.01   0.04     0.08   0.15   0.10    -0.03   0.11   0.01
    18   1    -0.15  -0.04  -0.01    -0.16   0.12  -0.09    -0.06   0.14  -0.03
    19   1    -0.04   0.04  -0.01     0.17   0.05  -0.11     0.01  -0.05  -0.02
    20   8    -0.08   0.04  -0.02    -0.03   0.00  -0.01     0.05  -0.02   0.04
    21   1     0.21  -0.04  -0.02     0.30  -0.26  -0.12     0.03  -0.02   0.05
    22   1     0.28  -0.07   0.00    -0.32  -0.16   0.06    -0.02  -0.00   0.05
    23   1    -0.16  -0.14   0.12    -0.08  -0.06   0.07    -0.18  -0.09   0.18
    24   1    -0.02  -0.09  -0.17     0.08  -0.14  -0.11     0.03   0.02   0.08
                     22                     23                     24
                      A                      A                      A
 Frequencies --    629.2353               716.3875               904.5680
 Red. masses --      5.0470                 3.9378                 3.0854
 Frc consts  --      1.1774                 1.1907                 1.4875
 IR Inten    --     49.5390                 3.2267                56.2054
 RamAct Fr= 1--      0.0534                 0.5666                 5.7467
  Dep-P Fr= 1--      0.6827                 0.3435                 0.3583
  Dep-U Fr= 1--      0.8114                 0.5113                 0.5276
 Alpha2 Fr= 1--      0.0001                 0.0051                 0.0491
 Beta2  Fr= 1--      0.0072                 0.0483                 0.5053
 AlphaG Fr= 1--      0.0002                 0.0053                -0.0360
 Gamma2 Fr= 1--      0.0471                 0.0629                -0.3554
 Delta2 Fr= 1--      0.0639                -0.0024                -0.9110
 Raman1 Fr= 1--       0.214                  2.266                 22.987
 ROA1   Fr= 1--       6.562                  5.958                -63.267
 CID1   Fr= 1--      30.723                  2.629                 -2.752
 Raman2 Fr= 1--       0.087                  0.579                  6.063
 ROA2   Fr= 1--       0.618                  1.528                 -1.241
 CID2   Fr= 1--       7.137                  2.637                 -0.205
 Raman3 Fr= 1--       0.173                  1.159                 12.127
 ROA3   Fr= 1--       6.562                  5.958                -63.267
 CID3   Fr= 1--      37.865                  5.141                 -5.217
 RC180  Fr= 1--       0.623                  0.023                  0.055
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.10   0.09    -0.12  -0.02  -0.04     0.01   0.03   0.05
     2   6    -0.07  -0.11   0.06     0.01  -0.05   0.05     0.00   0.02  -0.01
     3   6     0.00   0.08  -0.08    -0.07   0.07   0.02    -0.07   0.06   0.06
     4   6    -0.11  -0.11   0.06     0.11  -0.08   0.19    -0.15   0.08  -0.16
     5   8     0.03  -0.20  -0.00    -0.15  -0.04   0.02    -0.05  -0.11   0.06
     6   6     0.10   0.03  -0.09    -0.12   0.05  -0.09    -0.06   0.00  -0.02
     7   8     0.04  -0.06  -0.05     0.01   0.01   0.01     0.03  -0.06  -0.04
     8   1    -0.23  -0.26   0.09    -0.32  -0.08  -0.01     0.12  -0.01   0.02
     9   8    -0.10   0.04  -0.00     0.11  -0.01  -0.02     0.00  -0.00   0.00
    10   1    -0.18  -0.37   0.04     0.07  -0.16   0.03     0.00  -0.02  -0.02
    11   1     0.05   0.16  -0.09    -0.31   0.33   0.08     0.05  -0.06   0.02
    12   8     0.14   0.18  -0.01     0.02   0.03   0.00     0.00   0.01  -0.00
    13   6    -0.18   0.01   0.03     0.24  -0.07  -0.08     0.15   0.08  -0.11
    14   1    -0.11  -0.19   0.06     0.06  -0.03   0.20    -0.58   0.02  -0.11
    15   8     0.14   0.20   0.00     0.06   0.02   0.02     0.04   0.03  -0.01
    16   1     0.19   0.09  -0.11    -0.20   0.08  -0.08    -0.03   0.02  -0.02
    17   1     0.05   0.02  -0.01     0.02   0.16   0.11     0.04  -0.01  -0.01
    18   1    -0.21   0.09  -0.06    -0.02   0.07  -0.04     0.05  -0.03   0.02
    19   1     0.07   0.13   0.03     0.08   0.07  -0.04     0.13   0.10  -0.10
    20   8     0.02  -0.01  -0.01    -0.09   0.05  -0.07     0.05  -0.03   0.16
    21   1    -0.31   0.11   0.02     0.15   0.02  -0.06     0.51  -0.21  -0.12
    22   1    -0.09   0.08  -0.03     0.37  -0.04  -0.08    -0.08  -0.15   0.16
    23   1    -0.12   0.11   0.06     0.01   0.02   0.01     0.03   0.04  -0.03
    24   1     0.02   0.06   0.14    -0.10  -0.03  -0.26    -0.09  -0.08  -0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --    919.5090              1006.2992              1018.1306
 Red. masses --      2.0619                 4.1045                 4.4190
 Frc consts  --      1.0271                 2.4489                 2.6989
 IR Inten    --      9.9783               222.1211                64.6218
 RamAct Fr= 1--      2.4410                 1.3459                 2.3467
  Dep-P Fr= 1--      0.2994                 0.1231                 0.3487
  Dep-U Fr= 1--      0.4609                 0.2192                 0.5170
 Alpha2 Fr= 1--      0.0251                 0.0223                 0.0207
 Beta2  Fr= 1--      0.1875                 0.0492                 0.2022
 AlphaG Fr= 1--     -0.0365                 0.0205                -0.0329
 Gamma2 Fr= 1--      0.0772                 0.5237                 0.8102
 Delta2 Fr= 1--      0.5544                 0.8688                 0.9115
 Raman1 Fr= 1--       9.764                  5.383                  9.387
 ROA1   Fr= 1--      25.148                 78.075                106.944
 CID1   Fr= 1--       2.576                 14.503                 11.393
 Raman2 Fr= 1--       2.250                  0.590                  2.427
 ROA2   Fr= 1--      -2.583                  5.618                 12.152
 CID2   Fr= 1--      -1.148                  9.523                  5.008
 Raman3 Fr= 1--       4.500                  1.180                  4.853
 ROA3   Fr= 1--      25.148                 78.075                106.944
 CID3   Fr= 1--       5.589                 66.172                 22.035
 RC180  Fr= 1--      -0.078                 -0.562                  0.034
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01  -0.02     0.05   0.10   0.22     0.24   0.04  -0.14
     2   6    -0.00  -0.02  -0.01     0.11   0.16   0.05     0.13  -0.14   0.18
     3   6    -0.02   0.07   0.11    -0.13   0.16  -0.08     0.02   0.14  -0.13
     4   6    -0.07  -0.07  -0.08     0.03  -0.00  -0.03    -0.06  -0.02   0.05
     5   8     0.01   0.08  -0.04    -0.04  -0.02   0.02     0.03   0.03  -0.01
     6   6     0.10  -0.02   0.05     0.08   0.02  -0.11    -0.04  -0.08  -0.02
     7   8     0.02  -0.03  -0.01     0.05  -0.13  -0.09    -0.01   0.08   0.08
     8   1     0.00  -0.01  -0.03    -0.09  -0.08   0.20     0.04   0.08  -0.09
     9   8     0.00   0.01   0.01    -0.10   0.02  -0.04    -0.15  -0.00  -0.04
    10   1     0.00   0.05  -0.00    -0.08  -0.05   0.04     0.06  -0.15   0.17
    11   1    -0.06   0.13   0.12    -0.11   0.07  -0.07    -0.32   0.22  -0.05
    12   8    -0.00   0.01  -0.01    -0.05  -0.06   0.06    -0.09  -0.10   0.07
    13   6     0.02  -0.15  -0.07     0.03  -0.05   0.11     0.02  -0.03  -0.09
    14   1    -0.26   0.10  -0.06     0.23  -0.23  -0.07    -0.17  -0.01   0.06
    15   8    -0.02  -0.00  -0.01    -0.03  -0.08   0.03     0.03   0.06  -0.03
    16   1     0.10  -0.03   0.04     0.06  -0.07  -0.11    -0.07   0.10  -0.01
    17   1     0.02   0.12   0.09     0.06  -0.24  -0.19    -0.03  -0.39  -0.31
    18   1    -0.04   0.03  -0.01     0.36  -0.20   0.18    -0.31   0.07  -0.12
    19   1     0.14   0.12  -0.11     0.25   0.19  -0.22     0.03  -0.02  -0.01
    20   8     0.01   0.01   0.05    -0.02   0.02  -0.11     0.01  -0.00   0.07
    21   1    -0.33   0.24   0.24    -0.00   0.00   0.16    -0.05   0.04  -0.04
    22   1     0.60   0.10  -0.16     0.11   0.03   0.01     0.11  -0.00  -0.07
    23   1    -0.02  -0.01   0.00    -0.06  -0.13   0.08    -0.13  -0.11   0.16
    24   1     0.08   0.05   0.27     0.06   0.04   0.08    -0.02  -0.02  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1036.4480              1048.2150              1063.9907
 Red. masses --      3.2313                 5.5037                 3.6291
 Frc consts  --      2.0451                 3.5629                 2.4206
 IR Inten    --     55.9716               212.6161               152.5913
 RamAct Fr= 1--      1.2733                 7.0620                 7.8764
  Dep-P Fr= 1--      0.4390                 0.1461                 0.2987
  Dep-U Fr= 1--      0.6101                 0.2549                 0.4600
 Alpha2 Fr= 1--      0.0082                 0.1103                 0.0811
 Beta2  Fr= 1--      0.1295                 0.3000                 0.6039
 AlphaG Fr= 1--      0.0274                 0.0690                -0.0044
 Gamma2 Fr= 1--      0.6731                 0.6416                -2.2908
 Delta2 Fr= 1--      0.3767                 0.3003                -0.3959
 Raman1 Fr= 1--       5.093                 28.248                 31.506
 ROA1   Fr= 1--      76.675                 71.208               -232.582
 CID1   Fr= 1--      15.054                  2.521                 -7.382
 Raman2 Fr= 1--       1.554                  3.600                  7.246
 ROA2   Fr= 1--      13.141                 12.996                -51.811
 CID2   Fr= 1--       8.458                  3.610                 -7.150
 Raman3 Fr= 1--       3.107                  7.200                 14.492
 ROA3   Fr= 1--      76.675                 71.208               -232.582
 CID3   Fr= 1--      24.675                  9.890                -16.049
 RC180  Fr= 1--       0.220                 -0.490                 -0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.01   0.02     0.03  -0.06   0.06     0.06   0.03   0.15
     2   6     0.02   0.18   0.12     0.07  -0.07  -0.12    -0.05  -0.04  -0.17
     3   6     0.06  -0.10  -0.03    -0.01  -0.05  -0.11    -0.11   0.03  -0.08
     4   6    -0.05  -0.06   0.13    -0.08  -0.00   0.14    -0.04  -0.14   0.11
     5   8     0.07   0.09  -0.03    -0.26   0.05  -0.13     0.18   0.09  -0.06
     6   6     0.03  -0.04  -0.16     0.38   0.04   0.18    -0.16   0.08   0.10
     7   8    -0.01  -0.04  -0.02    -0.00   0.04   0.01     0.03  -0.02  -0.04
     8   1    -0.27  -0.14   0.04    -0.06  -0.01   0.08     0.07   0.12   0.15
     9   8    -0.02   0.01  -0.03    -0.07   0.03   0.01     0.05  -0.01   0.03
    10   1    -0.02   0.23   0.13    -0.05  -0.08  -0.11    -0.11  -0.32  -0.19
    11   1     0.05   0.01  -0.03    -0.02   0.05  -0.11    -0.16   0.12  -0.06
    12   8     0.03   0.03  -0.02     0.03   0.01  -0.00    -0.00   0.00   0.02
    13   6    -0.01   0.03  -0.16     0.11   0.05  -0.03    -0.01   0.00  -0.10
    14   1    -0.18   0.07   0.14    -0.18  -0.04   0.15     0.08  -0.19   0.07
    15   8    -0.02  -0.06   0.01    -0.06  -0.03   0.02    -0.03  -0.01   0.01
    16   1     0.09  -0.08  -0.17     0.26  -0.01   0.17    -0.09  -0.06   0.09
    17   1    -0.00   0.06   0.06    -0.01  -0.15  -0.13     0.01  -0.23  -0.17
    18   1     0.24  -0.11   0.11     0.05  -0.02   0.06     0.07  -0.03   0.01
    19   1    -0.23  -0.18   0.19    -0.20  -0.16   0.18     0.09   0.08  -0.07
    20   8     0.01  -0.01   0.13     0.00  -0.01   0.03     0.01  -0.00   0.08
    21   1    -0.10   0.04  -0.25     0.13  -0.06  -0.26    -0.17   0.05  -0.27
    22   1    -0.06  -0.04  -0.06    -0.09  -0.08   0.08    -0.01  -0.06  -0.00
    23   1    -0.21  -0.30   0.27     0.11   0.14  -0.17     0.25   0.27  -0.29
    24   1    -0.10  -0.05  -0.15    -0.16  -0.03  -0.30    -0.09  -0.05  -0.20
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1076.5214              1092.2379              1102.0144
 Red. masses --      3.4879                 2.2298                 2.2328
 Frc consts  --      2.3815                 1.5673                 1.5976
 IR Inten    --    261.3741               181.8035               112.8435
 RamAct Fr= 1--      2.9082                 0.6662                 9.3740
  Dep-P Fr= 1--      0.7357                 0.1336                 0.6493
  Dep-U Fr= 1--      0.8477                 0.2358                 0.7874
 Alpha2 Fr= 1--      0.0007                 0.0107                 0.0170
 Beta2  Fr= 1--      0.4109                 0.0262                 1.2301
 AlphaG Fr= 1--     -0.0011                 0.0018                -0.0065
 Gamma2 Fr= 1--     -0.0643                 0.4854                -1.6749
 Delta2 Fr= 1--     -0.9213                 0.2099                -1.2628
 Raman1 Fr= 1--      11.633                  2.665                 37.496
 ROA1   Fr= 1--     -35.649                 53.320               -201.200
 CID1   Fr= 1--      -3.065                 20.008                 -5.366
 Raman2 Fr= 1--       4.931                  0.314                 14.762
 ROA2   Fr= 1--       5.828                  9.972                -30.095
 CID2   Fr= 1--       1.182                 31.743                 -2.039
 Raman3 Fr= 1--       9.862                  0.628                 29.524
 ROA3   Fr= 1--     -35.649                 53.320               -201.200
 CID3   Fr= 1--      -3.615                 84.868                 -6.815
 RC180  Fr= 1--       0.695                 -0.528                  0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.09   0.03    -0.06   0.16  -0.04    -0.04   0.21   0.03
     2   6     0.07   0.02  -0.10     0.00  -0.07   0.05     0.03  -0.07   0.01
     3   6     0.17   0.12  -0.09     0.08   0.08   0.07     0.07  -0.07  -0.06
     4   6     0.13   0.13  -0.01     0.07  -0.10  -0.04    -0.08   0.07   0.07
     5   8    -0.03  -0.11   0.05    -0.03   0.02  -0.01     0.04  -0.01  -0.00
     6   6    -0.03   0.09   0.01     0.07   0.05  -0.01    -0.03   0.04   0.01
     7   8    -0.02   0.02  -0.00     0.01  -0.07  -0.04     0.01  -0.08  -0.06
     8   1    -0.40  -0.18   0.07     0.08   0.16  -0.07    -0.11   0.25   0.04
     9   8    -0.03   0.02  -0.01    -0.00  -0.01   0.00    -0.01  -0.01   0.00
    10   1     0.07  -0.17  -0.12     0.08  -0.15   0.03     0.08  -0.29  -0.02
    11   1     0.17   0.14  -0.08     0.18  -0.02   0.05     0.17  -0.09  -0.08
    12   8    -0.06  -0.10   0.06    -0.04  -0.03   0.02     0.01  -0.01  -0.01
    13   6    -0.10  -0.03  -0.16    -0.05   0.08  -0.02     0.05  -0.05   0.03
    14   1     0.05   0.17   0.01     0.29  -0.29  -0.08    -0.28   0.20   0.10
    15   8    -0.01  -0.03   0.03    -0.02  -0.03   0.02    -0.01  -0.01   0.02
    16   1    -0.09   0.02   0.02     0.04   0.10  -0.01    -0.03   0.04   0.01
    17   1    -0.01   0.18   0.14     0.03   0.23   0.18     0.02   0.03   0.03
    18   1     0.21  -0.09   0.10    -0.33   0.15  -0.14    -0.26   0.11  -0.11
    19   1    -0.05  -0.09   0.04     0.10   0.08  -0.10    -0.32  -0.27   0.25
    20   8     0.01  -0.00   0.11     0.02  -0.02   0.04    -0.02   0.01  -0.04
    21   1    -0.18   0.12   0.03    -0.12  -0.02  -0.38     0.14  -0.01   0.30
    22   1     0.03   0.11  -0.29    -0.16  -0.08   0.19     0.09   0.06  -0.13
    23   1     0.20   0.20  -0.23    -0.03  -0.02   0.01     0.07   0.08  -0.08
    24   1     0.06  -0.01   0.20    -0.13  -0.06  -0.31     0.10   0.05   0.23
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1111.0960              1120.0372              1148.3796
 Red. masses --      3.2189                 3.8177                 3.5517
 Frc consts  --      2.3413                 2.8217                 2.7597
 IR Inten    --     60.2730                40.0530                37.6191
 RamAct Fr= 1--      9.8503                11.4184                 3.9564
  Dep-P Fr= 1--      0.7417                 0.4219                 0.4948
  Dep-U Fr= 1--      0.8517                 0.5935                 0.6620
 Alpha2 Fr= 1--      0.0014                 0.0781                 0.0200
 Beta2  Fr= 1--      1.3983                 1.1294                 0.4365
 AlphaG Fr= 1--     -0.0082                 0.0192                 0.0084
 Gamma2 Fr= 1--      1.1890                -2.7058                 2.5054
 Delta2 Fr= 1--      0.2038                -2.1128                 1.8844
 Raman1 Fr= 1--      39.401                 45.674                 15.826
 ROA1   Fr= 1--     120.662               -327.363                300.821
 CID1   Fr= 1--       3.062                 -7.167                 19.008
 Raman2 Fr= 1--      16.779                 13.553                  5.239
 ROA2   Fr= 1--      26.905                -48.036                 45.054
 CID2   Fr= 1--       1.603                 -3.544                  8.601
 Raman3 Fr= 1--      33.558                 27.106                 10.477
 ROA3   Fr= 1--     120.662               -327.363                300.821
 CID3   Fr= 1--       3.596                -12.077                 28.712
 RC180  Fr= 1--       0.703                  0.187                  0.324
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.07   0.01    -0.03  -0.03   0.02     0.04  -0.11  -0.11
     2   6     0.28  -0.02  -0.04    -0.18   0.06  -0.04    -0.05   0.02   0.01
     3   6     0.04  -0.00   0.07     0.19   0.20  -0.12     0.06   0.05   0.02
     4   6    -0.08  -0.09  -0.01    -0.12  -0.03   0.05    -0.11  -0.07  -0.03
     5   8     0.06   0.07  -0.02     0.01   0.03  -0.05     0.09   0.01  -0.01
     6   6    -0.11  -0.06   0.07    -0.02  -0.13   0.05     0.05   0.26  -0.13
     7   8    -0.02   0.01  -0.01    -0.01  -0.02  -0.02    -0.02   0.05   0.05
     8   1    -0.23  -0.25   0.01    -0.04  -0.03   0.01    -0.04  -0.24  -0.11
     9   8    -0.14   0.04  -0.06     0.11  -0.01   0.04     0.01  -0.00   0.00
    10   1     0.34   0.00  -0.05    -0.27   0.32   0.01    -0.01  -0.36  -0.04
    11   1     0.12   0.01   0.06     0.38   0.23  -0.14    -0.08   0.18   0.05
    12   8     0.01   0.01  -0.01    -0.07  -0.11   0.09    -0.01  -0.01   0.01
    13   6     0.03   0.03   0.10     0.06   0.01   0.10     0.03   0.03   0.09
    14   1    -0.08  -0.09  -0.01    -0.21  -0.16   0.04    -0.49  -0.13   0.01
    15   8     0.01   0.04  -0.02     0.04   0.07  -0.06    -0.08  -0.15   0.11
    16   1    -0.16  -0.11   0.08     0.09  -0.20   0.02     0.12   0.32  -0.13
    17   1    -0.00   0.40   0.29    -0.00   0.20   0.18    -0.02   0.05   0.04
    18   1     0.20  -0.12   0.10     0.09  -0.01   0.02     0.01   0.01   0.02
    19   1    -0.03  -0.02   0.03    -0.05  -0.09   0.04    -0.02  -0.02   0.03
    20   8     0.00  -0.00  -0.06    -0.00   0.00  -0.07    -0.00  -0.01  -0.06
    21   1     0.07  -0.07  -0.07     0.11  -0.06   0.03     0.21  -0.10   0.11
    22   1    -0.02  -0.09   0.26     0.07  -0.07   0.21     0.00  -0.06   0.22
    23   1     0.15   0.16  -0.15    -0.13  -0.12   0.16     0.09   0.05  -0.12
    24   1    -0.06  -0.01  -0.18    -0.04  -0.00  -0.15     0.03   0.03   0.06
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1205.5161              1233.3717              1242.8228
 Red. masses --      1.2513                 1.1820                 1.2184
 Frc consts  --      1.0714                 1.0594                 1.1088
 IR Inten    --     12.8344                56.2049                15.4548
 RamAct Fr= 1--      2.6959                 3.2893                 4.1147
  Dep-P Fr= 1--      0.1139                 0.7051                 0.7258
  Dep-U Fr= 1--      0.2044                 0.8271                 0.8411
 Alpha2 Fr= 1--      0.0456                 0.0026                 0.0017
 Beta2  Fr= 1--      0.0919                 0.4534                 0.5768
 AlphaG Fr= 1--     -0.0041                -0.0140                 0.0023
 Gamma2 Fr= 1--     -0.5507                 0.0118                 3.0506
 Delta2 Fr= 1--     -0.3681                -0.6268                 2.3865
 Raman1 Fr= 1--      10.784                 13.157                 16.459
 ROA1   Fr= 1--     -64.650                -18.925                369.229
 CID1   Fr= 1--      -5.995                 -1.438                 22.434
 Raman2 Fr= 1--       1.102                  5.441                  6.922
 ROA2   Fr= 1--     -10.273                  5.298                 54.124
 CID2   Fr= 1--      -9.320                  0.974                  7.819
 Raman3 Fr= 1--       2.205                 10.882                 13.844
 ROA3   Fr= 1--     -64.650                -18.925                369.229
 CID3   Fr= 1--     -29.326                 -1.739                 26.671
 RC180  Fr= 1--      -0.591                  0.654                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.03    -0.04  -0.05   0.06     0.01  -0.01   0.02
     2   6     0.03  -0.03  -0.01     0.02   0.00  -0.03     0.01  -0.03  -0.01
     3   6    -0.05   0.02  -0.05     0.01   0.00  -0.01    -0.05   0.00  -0.05
     4   6    -0.02   0.01   0.07    -0.00   0.02  -0.01    -0.01   0.06  -0.02
     5   8     0.02   0.01  -0.01     0.01  -0.01   0.01     0.01  -0.02   0.03
     6   6     0.01   0.02  -0.02    -0.01   0.02  -0.03    -0.01   0.02  -0.00
     7   8    -0.01   0.01  -0.00     0.02   0.02  -0.00    -0.02  -0.01  -0.01
     8   1     0.44   0.01  -0.05    -0.18   0.17   0.12     0.42   0.01  -0.05
     9   8    -0.01  -0.00  -0.00    -0.00  -0.03   0.01    -0.01   0.02  -0.00
    10   1     0.21   0.29   0.00     0.41   0.47  -0.02    -0.09  -0.06   0.00
    11   1     0.29  -0.23  -0.12     0.06   0.10  -0.01    -0.00   0.15  -0.05
    12   8    -0.00   0.00   0.02     0.00  -0.00   0.01     0.02  -0.01  -0.00
    13   6     0.02  -0.01  -0.04    -0.01  -0.02   0.03     0.00  -0.05   0.03
    14   1     0.03  -0.31   0.04    -0.08   0.16   0.01     0.07   0.23  -0.02
    15   8    -0.01  -0.02   0.01    -0.01  -0.01   0.01     0.01  -0.01  -0.00
    16   1    -0.10   0.23   0.00     0.01   0.10  -0.03    -0.03   0.31   0.02
    17   1    -0.00   0.23   0.18     0.00  -0.28  -0.21    -0.01   0.25   0.20
    18   1    -0.15   0.06  -0.06    -0.39   0.16  -0.18     0.16  -0.06   0.07
    19   1     0.12   0.11  -0.11     0.01   0.00  -0.00    -0.19  -0.17   0.15
    20   8    -0.01   0.00   0.01     0.01  -0.00  -0.01     0.02   0.01   0.00
    21   1     0.14  -0.02   0.15    -0.15   0.04  -0.11    -0.30   0.09  -0.18
    22   1    -0.12   0.07  -0.25     0.14  -0.06   0.17     0.23  -0.06   0.17
    23   1    -0.06  -0.08   0.08    -0.01  -0.01   0.01    -0.11  -0.13   0.13
    24   1     0.07   0.02   0.21    -0.07  -0.02  -0.18    -0.13  -0.03  -0.33
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1248.9672              1254.1067              1325.0745
 Red. masses --      1.2738                 1.1653                 1.2323
 Frc consts  --      1.1707                 1.0798                 1.2748
 IR Inten    --     72.0718                14.0199                15.7122
 RamAct Fr= 1--      0.8333                 6.7592                 4.1261
  Dep-P Fr= 1--      0.7451                 0.7494                 0.4796
  Dep-U Fr= 1--      0.8540                 0.8567                 0.6482
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0223
 Beta2  Fr= 1--      0.1186                 0.9651                 0.4458
 AlphaG Fr= 1--      0.0017                -0.0016                -0.0328
 Gamma2 Fr= 1--     -1.2946                -0.2380                 1.4471
 Delta2 Fr= 1--     -1.1293                -0.6745                 1.3033
 Raman1 Fr= 1--       3.333                 27.037                 16.505
 ROA1   Fr= 1--    -160.422                -44.428                180.629
 CID1   Fr= 1--     -48.130                 -1.643                 10.944
 Raman2 Fr= 1--       1.423                 11.582                  5.349
 ROA2   Fr= 1--     -22.036                 -0.315                 24.304
 CID2   Fr= 1--     -15.484                 -0.027                  4.543
 Raman3 Fr= 1--       2.846                 23.163                 10.699
 ROA3   Fr= 1--    -160.422                -44.428                180.629
 CID3   Fr= 1--     -56.361                 -1.918                 16.883
 RC180  Fr= 1--       0.708                  0.713                  0.296
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04     0.01  -0.02   0.03     0.03   0.00   0.02
     2   6     0.02  -0.06  -0.06    -0.01   0.04   0.04    -0.00   0.04  -0.02
     3   6     0.01   0.00   0.03    -0.03   0.01  -0.02     0.01  -0.03  -0.05
     4   6     0.04  -0.06  -0.04     0.02  -0.03  -0.04    -0.01  -0.07   0.00
     5   8    -0.00   0.02   0.00    -0.01   0.01   0.00    -0.02  -0.00  -0.00
     6   6    -0.00   0.00   0.03     0.01  -0.02  -0.02    -0.04   0.02   0.06
     7   8     0.01  -0.00  -0.02    -0.01  -0.01  -0.00    -0.02  -0.01  -0.01
     8   1    -0.13   0.18   0.09     0.34  -0.06  -0.03    -0.00  -0.12   0.01
     9   8    -0.00   0.01   0.01     0.00  -0.02  -0.00    -0.00  -0.01  -0.00
    10   1    -0.11   0.16  -0.03     0.19   0.05   0.02     0.23  -0.18  -0.06
    11   1    -0.20   0.40   0.09    -0.13   0.53   0.03    -0.08   0.00  -0.03
    12   8     0.01  -0.01  -0.01     0.03  -0.01  -0.00    -0.02   0.01   0.02
    13   6    -0.02   0.05  -0.02    -0.01   0.02  -0.02     0.00   0.03  -0.01
    14   1    -0.06  -0.08  -0.03     0.09  -0.01  -0.05     0.13   0.58   0.02
    15   8     0.01  -0.01  -0.02    -0.01   0.01   0.01     0.01  -0.01  -0.01
    16   1    -0.15   0.45   0.07     0.07  -0.36  -0.05     0.48   0.07  -0.00
    17   1     0.00  -0.05  -0.04    -0.00   0.13   0.11    -0.00   0.18   0.13
    18   1     0.12  -0.05   0.05    -0.20   0.08  -0.09    -0.13   0.05  -0.05
    19   1    -0.15  -0.14   0.13    -0.24  -0.21   0.20     0.19   0.17  -0.15
    20   8    -0.01  -0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.00
    21   1     0.21  -0.08   0.10     0.12  -0.05   0.06     0.12  -0.05   0.02
    22   1    -0.14   0.03  -0.05    -0.07   0.02  -0.06    -0.05   0.00  -0.00
    23   1    -0.22  -0.27   0.27     0.16   0.19  -0.20    -0.15  -0.18   0.17
    24   1     0.10   0.02   0.25     0.06   0.00   0.13     0.04   0.01   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1330.9211              1345.7717              1348.2386
 Red. masses --      1.3146                 1.2726                 1.3093
 Frc consts  --      1.3720                 1.3579                 1.4023
 IR Inten    --     77.3813                42.4942                32.0324
 RamAct Fr= 1--      3.0332                 3.5971                 2.2549
  Dep-P Fr= 1--      0.5690                 0.6587                 0.7486
  Dep-U Fr= 1--      0.7253                 0.7943                 0.8562
 Alpha2 Fr= 1--      0.0104                 0.0059                 0.0001
 Beta2  Fr= 1--      0.3667                 0.4762                 0.3218
 AlphaG Fr= 1--     -0.0054                 0.0103                -0.0002
 Gamma2 Fr= 1--     -0.2239                 0.4918                -2.0766
 Delta2 Fr= 1--     -1.4125                 0.8394                -1.9773
 Raman1 Fr= 1--      12.133                 14.388                  9.020
 ROA1   Fr= 1--     -66.700                 74.072               -262.625
 CID1   Fr= 1--      -5.497                  5.148                -29.117
 Raman2 Fr= 1--       4.400                  5.714                  3.861
 ROA2   Fr= 1--       5.926                  5.088                -34.020
 CID2   Fr= 1--       1.347                  0.890                 -8.810
 Raman3 Fr= 1--       8.800                 11.428                  7.723
 ROA3   Fr= 1--     -66.700                 74.072               -262.625
 CID3   Fr= 1--      -7.580                  6.481                -34.007
 RC180  Fr= 1--       0.451                  0.589                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.03     0.09   0.03   0.03    -0.04  -0.00  -0.03
     2   6    -0.00   0.01  -0.02     0.03  -0.04  -0.04     0.01  -0.09   0.04
     3   6    -0.02   0.05   0.06     0.02   0.01   0.00    -0.02   0.01  -0.00
     4   6    -0.10   0.02  -0.02    -0.03  -0.00  -0.01    -0.04  -0.06   0.00
     5   8     0.00  -0.01  -0.00     0.00  -0.00   0.01     0.00   0.00   0.02
     6   6    -0.03   0.02   0.02     0.00   0.00  -0.05    -0.00  -0.00  -0.05
     7   8     0.01   0.01   0.02    -0.02  -0.01  -0.01     0.01   0.01  -0.00
     8   1    -0.19  -0.18  -0.02    -0.24  -0.32   0.04     0.04   0.28  -0.00
     9   8    -0.00  -0.00  -0.00     0.01  -0.02   0.03    -0.00   0.03  -0.01
    10   1     0.12  -0.08  -0.04    -0.42   0.46   0.05    -0.27   0.31   0.11
    11   1     0.22   0.04   0.02    -0.35  -0.20   0.07     0.36   0.09  -0.08
    12   8     0.02  -0.01  -0.02    -0.00   0.00  -0.02    -0.00  -0.00   0.02
    13   6     0.04  -0.05  -0.00     0.01  -0.01   0.00     0.01   0.02  -0.02
    14   1     0.55  -0.20  -0.12     0.13   0.07  -0.02     0.28   0.43  -0.01
    15   8     0.01  -0.01  -0.00    -0.01  -0.00   0.02    -0.02  -0.00   0.04
    16   1     0.31   0.10  -0.01     0.01   0.04  -0.05     0.17   0.04  -0.07
    17   1     0.00  -0.16  -0.12    -0.01   0.28   0.20     0.00  -0.11  -0.08
    18   1    -0.02   0.01  -0.01    -0.23   0.09  -0.09     0.28  -0.12   0.11
    19   1    -0.21  -0.19   0.17    -0.03  -0.02   0.03     0.04   0.03  -0.03
    20   8     0.01   0.03   0.02     0.00   0.01   0.00    -0.01  -0.01  -0.00
    21   1     0.03   0.01   0.12    -0.00   0.00   0.02     0.11  -0.04  -0.01
    22   1    -0.13   0.09  -0.32    -0.05   0.02  -0.09     0.00  -0.01   0.03
    23   1    -0.08  -0.09   0.09     0.08   0.10  -0.10     0.17   0.21  -0.20
    24   1    -0.07  -0.01  -0.21    -0.02  -0.00  -0.06     0.04   0.01   0.12
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1365.3363              1380.3849              1392.3456
 Red. masses --      1.2086                 1.2437                 1.3713
 Frc consts  --      1.3275                 1.3963                 1.5663
 IR Inten    --      4.9224                20.0383                 3.9870
 RamAct Fr= 1--      0.8360                 2.7667                 6.1247
  Dep-P Fr= 1--      0.7087                 0.7351                 0.6324
  Dep-U Fr= 1--      0.8295                 0.8473                 0.7748
 Alpha2 Fr= 1--      0.0006                 0.0007                 0.0131
 Beta2  Fr= 1--      0.1156                 0.3907                 0.7909
 AlphaG Fr= 1--      0.0014                -0.0076                -0.0139
 Gamma2 Fr= 1--      0.3981                -0.1819                 0.4784
 Delta2 Fr= 1--      0.0595                 1.1217                -0.3642
 Raman1 Fr= 1--       3.344                 11.067                 24.499
 ROA1   Fr= 1--      40.121                 18.432                 34.275
 CID1   Fr= 1--      11.998                  1.666                  1.399
 Raman2 Fr= 1--       1.387                  4.688                  9.491
 ROA2   Fr= 1--       9.078                -13.339                 14.396
 CID2   Fr= 1--       6.545                 -2.845                  1.517
 Raman3 Fr= 1--       2.774                  9.377                 18.983
 ROA3   Fr= 1--      40.121                 18.432                 34.275
 CID3   Fr= 1--      14.464                  1.966                  1.806
 RC180  Fr= 1--       0.659                  0.695                  0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02     0.02  -0.00   0.01     0.00   0.06  -0.01
     2   6    -0.02  -0.04   0.04    -0.01  -0.02   0.01     0.03  -0.05  -0.01
     3   6     0.06  -0.00  -0.00    -0.02   0.06   0.02    -0.06  -0.04   0.00
     4   6     0.00   0.02  -0.01     0.01   0.04   0.03     0.11   0.02  -0.01
     5   8    -0.01  -0.00  -0.02    -0.01  -0.01  -0.02    -0.02   0.01  -0.03
     6   6    -0.03   0.01  -0.01    -0.04   0.01   0.01    -0.07   0.01   0.01
     7   8    -0.01  -0.00  -0.03    -0.00  -0.00  -0.00     0.00   0.00   0.01
     8   1     0.05   0.52   0.11    -0.04  -0.01   0.02    -0.02  -0.33  -0.07
     9   8    -0.01   0.02  -0.02    -0.00   0.00  -0.01    -0.00   0.00   0.01
    10   1     0.15   0.09   0.05     0.11   0.09   0.01    -0.18   0.18   0.03
    11   1    -0.43  -0.09   0.10    -0.09  -0.31   0.02     0.33   0.26  -0.07
    12   8    -0.01   0.00  -0.01     0.02  -0.01  -0.03    -0.00  -0.00   0.02
    13   6    -0.00  -0.03   0.03    -0.03   0.05  -0.06    -0.02  -0.01   0.03
    14   1    -0.10  -0.19  -0.01     0.09  -0.23   0.00    -0.48  -0.19   0.05
    15   8    -0.00  -0.00   0.02     0.01  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.42  -0.02  -0.06     0.40  -0.02  -0.04     0.53  -0.00  -0.07
    17   1    -0.01   0.11   0.08    -0.00   0.01   0.01     0.00  -0.05  -0.04
    18   1     0.20  -0.08   0.08     0.07  -0.03   0.03     0.02  -0.01   0.01
    19   1     0.04   0.03  -0.03    -0.18  -0.16   0.15     0.03   0.03  -0.03
    20   8     0.01   0.02   0.01    -0.02  -0.04  -0.02     0.01   0.01   0.00
    21   1    -0.02   0.02   0.12     0.05  -0.04  -0.16    -0.10   0.04   0.03
    22   1    -0.15   0.06  -0.21     0.40  -0.12   0.44    -0.10   0.02  -0.07
    23   1     0.04   0.06  -0.06    -0.02  -0.01   0.01    -0.01   0.00   0.00
    24   1    -0.08  -0.02  -0.23     0.13   0.02   0.36    -0.03  -0.01  -0.10
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1418.0213              1425.1525              1438.7693
 Red. masses --      1.3809                 1.5621                 1.3875
 Frc consts  --      1.6360                 1.8693                 1.6923
 IR Inten    --     44.7856                 9.0781                 0.3516
 RamAct Fr= 1--      4.5776                 8.1411                 2.8804
  Dep-P Fr= 1--      0.5523                 0.5900                 0.4455
  Dep-U Fr= 1--      0.7116                 0.7421                 0.6164
 Alpha2 Fr= 1--      0.0173                 0.0243                 0.0180
 Beta2  Fr= 1--      0.5429                 1.0070                 0.2959
 AlphaG Fr= 1--      0.0023                 0.0135                -0.0010
 Gamma2 Fr= 1--     -0.0879                -0.3301                -0.3922
 Delta2 Fr= 1--      0.0515                 0.1489                -0.2331
 Raman1 Fr= 1--      18.310                 32.564                 11.522
 ROA1   Fr= 1--      -6.795                -26.919                -45.105
 CID1   Fr= 1--      -0.371                 -0.827                 -3.915
 Raman2 Fr= 1--       6.515                 12.084                  3.551
 ROA2   Fr= 1--      -2.522                 -9.113                 -7.547
 CID2   Fr= 1--      -0.387                 -0.754                 -2.125
 Raman3 Fr= 1--      13.030                 24.167                  7.102
 ROA3   Fr= 1--      -6.795                -26.919                -45.105
 CID3   Fr= 1--      -0.521                 -1.114                 -6.351
 RC180  Fr= 1--       0.423                  0.484                  0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.01   0.00     0.11   0.03  -0.00     0.09  -0.08  -0.03
     2   6     0.07   0.03  -0.01    -0.10  -0.06   0.01     0.05   0.06   0.00
     3   6     0.04  -0.02  -0.02    -0.07   0.02   0.01    -0.06  -0.05   0.02
     4   6    -0.01   0.00   0.03     0.05  -0.04   0.01    -0.01   0.04   0.01
     5   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.01  -0.01   0.00     0.04   0.02  -0.00    -0.01   0.01   0.00
     7   8     0.01   0.01   0.01    -0.02  -0.01  -0.01    -0.03  -0.01  -0.03
     8   1     0.26  -0.04  -0.06    -0.31  -0.06   0.06    -0.34   0.54   0.16
     9   8     0.00  -0.01   0.01    -0.01   0.02  -0.02    -0.00  -0.02   0.02
    10   1    -0.31  -0.06   0.01     0.44   0.13  -0.01    -0.30  -0.16   0.01
    11   1    -0.13   0.02   0.02     0.21  -0.06  -0.05     0.32   0.25  -0.05
    12   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.01
    13   6    -0.11  -0.00  -0.05    -0.09  -0.01  -0.02    -0.01  -0.00  -0.02
    14   1     0.12  -0.06   0.01    -0.07   0.11   0.04     0.07  -0.17  -0.02
    15   8    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.01
    16   1     0.08   0.05  -0.01    -0.22  -0.12   0.03     0.05  -0.06  -0.01
    17   1     0.00  -0.14  -0.11    -0.01   0.18   0.14    -0.01   0.26   0.19
    18   1    -0.13   0.05  -0.06     0.21  -0.08   0.09    -0.22   0.09  -0.09
    19   1     0.06   0.05  -0.05    -0.05  -0.04   0.04     0.06   0.06  -0.05
    20   8     0.03   0.02  -0.00     0.03   0.02   0.00     0.00  -0.00  -0.00
    21   1     0.39  -0.18   0.49     0.27  -0.13   0.39     0.01  -0.00   0.01
    22   1     0.33  -0.03   0.20     0.16   0.01   0.07     0.12  -0.03   0.10
    23   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.03  -0.04   0.03
    24   1    -0.11  -0.01  -0.33    -0.12  -0.01  -0.33     0.01   0.00   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1443.8183              1462.6249              1490.6664
 Red. masses --      1.6902                 1.5834                 1.0849
 Frc consts  --      2.0760                 1.9958                 1.4204
 IR Inten    --     22.3256                13.0668                 6.6834
 RamAct Fr= 1--      3.6875                 5.3058                 7.1907
  Dep-P Fr= 1--      0.7136                 0.6426                 0.7089
  Dep-U Fr= 1--      0.8329                 0.7824                 0.8297
 Alpha2 Fr= 1--      0.0023                 0.0103                 0.0051
 Beta2  Fr= 1--      0.5119                 0.6919                 0.9943
 AlphaG Fr= 1--      0.0209                -0.0312                 0.0092
 Gamma2 Fr= 1--      1.1291                -0.0944                -0.2876
 Delta2 Fr= 1--     -0.9596                 0.9004                -0.4139
 Raman1 Fr= 1--      14.750                 21.223                 28.763
 ROA1   Fr= 1--      77.687                 19.751                -40.852
 CID1   Fr= 1--       5.267                  0.931                 -1.420
 Raman2 Fr= 1--       6.142                  8.303                 11.932
 ROA2   Fr= 1--      34.775                 -9.468                 -3.590
 CID2   Fr= 1--       5.661                 -1.140                 -0.301
 Raman3 Fr= 1--      12.285                 16.606                 23.864
 ROA3   Fr= 1--      77.687                 19.751                -40.852
 CID3   Fr= 1--       6.324                  1.189                 -1.712
 RC180  Fr= 1--       0.666                  0.565                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.07  -0.01     0.02  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.05   0.05  -0.00    -0.04   0.08  -0.00     0.00   0.00  -0.00
     3   6    -0.07   0.15   0.02    -0.02   0.02   0.00    -0.00   0.01   0.00
     4   6     0.09  -0.10  -0.01     0.03  -0.01   0.00     0.01  -0.00  -0.00
     5   8    -0.01   0.01  -0.00    -0.01   0.02  -0.00    -0.00  -0.00   0.00
     6   6    -0.01   0.02   0.01     0.01  -0.19  -0.03     0.00   0.00   0.00
     7   8     0.01   0.00  -0.00    -0.00  -0.01  -0.00     0.00  -0.00   0.00
     8   1     0.07   0.24   0.02    -0.08  -0.02   0.01     0.00   0.00   0.00
     9   8     0.00  -0.02   0.01     0.01  -0.01   0.00    -0.00  -0.00   0.00
    10   1    -0.25  -0.11   0.00     0.14  -0.21  -0.05    -0.00  -0.00  -0.00
    11   1     0.10  -0.52  -0.04     0.04  -0.05  -0.01    -0.01  -0.02   0.00
    12   8     0.03  -0.01  -0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6    -0.02   0.00   0.03    -0.01   0.00  -0.00     0.05  -0.00  -0.06
    14   1    -0.30   0.32   0.06    -0.07   0.01   0.02     0.04   0.01  -0.01
    15   8     0.00  -0.01  -0.01    -0.02   0.02   0.05     0.00  -0.00  -0.00
    16   1     0.03  -0.12   0.00     0.12   0.79  -0.01     0.00  -0.00   0.00
    17   1     0.00  -0.06  -0.03    -0.00   0.04   0.03     0.00  -0.00  -0.00
    18   1    -0.16   0.06  -0.07    -0.05   0.02  -0.03    -0.00   0.00  -0.00
    19   1    -0.27  -0.24   0.22    -0.03  -0.03   0.03    -0.02  -0.02   0.01
    20   8     0.01   0.01   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.01
    21   1     0.02  -0.03   0.04     0.02  -0.01   0.02    -0.24   0.43   0.50
    22   1    -0.17   0.07  -0.18    -0.01   0.00   0.00    -0.42  -0.40   0.39
    23   1    -0.05  -0.06   0.06     0.23   0.30  -0.27    -0.00  -0.00   0.00
    24   1    -0.04  -0.00  -0.11    -0.00  -0.00  -0.01     0.01   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2982.7332              2992.4161              2995.8031
 Red. masses --      1.0832                 1.0815                 1.0808
 Frc consts  --      5.6780                 5.7060                 5.7151
 IR Inten    --     44.1830                13.5551                41.1563
 RamAct Fr= 1--     98.0672                26.4561               340.3682
  Dep-P Fr= 1--      0.1777                 0.4910                 0.1874
  Dep-U Fr= 1--      0.3018                 0.6586                 0.3156
 Alpha2 Fr= 1--      1.4121                 0.1362                 4.7789
 Beta2  Fr= 1--      4.9321                 2.9039                17.9028
 AlphaG Fr= 1--     -1.2877                 0.2510                 0.0217
 Gamma2 Fr= 1--     -9.4377                 9.1564                 8.3611
 Delta2 Fr= 1--     -2.3203                 5.3806                 8.5512
 Raman1 Fr= 1--     392.269                105.824               1361.473
 ROA1   Fr= 1--    -980.270               1051.188               1076.307
 CID1   Fr= 1--      -2.499                  9.933                  0.791
 Raman2 Fr= 1--      59.185                 34.847                214.834
 ROA2   Fr= 1--    -207.943                176.708                132.257
 CID2   Fr= 1--      -3.513                  5.071                  0.616
 Raman3 Fr= 1--     118.370                 69.693                429.668
 ROA3   Fr= 1--    -980.270               1051.188               1076.307
 CID3   Fr= 1--      -8.281                 15.083                  2.505
 RC180  Fr= 1--      -0.396                  0.317                 -0.369
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01     0.01  -0.01   0.03    -0.01   0.01  -0.07
     2   6    -0.00  -0.00   0.01    -0.00   0.00  -0.01    -0.00  -0.00   0.02
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.02
     4   6     0.00   0.00   0.00    -0.01   0.00  -0.07    -0.00   0.00  -0.03
     5   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.08    -0.00   0.00  -0.00    -0.00  -0.00  -0.01
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1    -0.03   0.02  -0.14    -0.07   0.06  -0.36     0.16  -0.13   0.84
     9   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   1    -0.02   0.02  -0.14     0.01  -0.01   0.10    -0.02   0.02  -0.22
    11   1     0.01  -0.00   0.04    -0.02   0.01  -0.10    -0.05   0.01  -0.24
    12   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00    -0.01   0.01   0.01    -0.00   0.00   0.00
    14   1    -0.01  -0.00  -0.05     0.11  -0.06   0.88     0.04  -0.02   0.33
    15   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1     0.13  -0.04   0.97     0.01  -0.00   0.01     0.02  -0.00   0.12
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    18   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00  -0.00     0.03   0.05  -0.02     0.01   0.02  -0.01
    22   1    -0.00   0.01   0.00     0.04  -0.15  -0.09     0.02  -0.07  -0.04
    23   1     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3017.8672              3021.0939              3028.7420
 Red. masses --      1.0837                 1.0712                 1.0846
 Frc consts  --      5.8152                 5.7603                 5.8619
 IR Inten    --     25.5287                87.5536               156.9988
 RamAct Fr= 1--      8.2453               271.0906                52.0639
  Dep-P Fr= 1--      0.5709                 0.1001                 0.1718
  Dep-U Fr= 1--      0.7268                 0.1821                 0.2932
 Alpha2 Fr= 1--      0.0279                 4.7447                 0.7612
 Beta2  Fr= 1--      0.9988                 8.2256                 2.5440
 AlphaG Fr= 1--      0.1081                 0.7715                 0.0067
 Gamma2 Fr= 1--      1.9505                -9.9639                 2.4829
 Delta2 Fr= 1--      0.8524               -12.8830                 0.6462
 Raman1 Fr= 1--      32.981               1084.363                208.255
 ROA1   Fr= 1--     214.521              -1368.793                259.032
 CID1   Fr= 1--       6.504                 -1.262                  1.244
 Raman2 Fr= 1--      11.986                 98.707                 30.528
 ROA2   Fr= 1--      39.992               -136.070                 54.420
 CID2   Fr= 1--       3.337                 -1.379                  1.783
 Raman3 Fr= 1--      23.972                197.414                 61.056
 ROA3   Fr= 1--     214.521              -1368.793                259.032
 CID3   Fr= 1--       8.949                 -6.934                  4.243
 RC180  Fr= 1--       0.454                 -0.636                 -0.414
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.02
     2   6    -0.00   0.01  -0.07     0.00  -0.00   0.01    -0.00   0.00  -0.03
     3   6     0.01  -0.00   0.04     0.00   0.00   0.00    -0.02   0.00  -0.07
     4   6     0.00  -0.00   0.01    -0.00  -0.00  -0.02    -0.00   0.00  -0.01
     5   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     7   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1     0.02  -0.02   0.11    -0.00   0.00  -0.01     0.05  -0.04   0.26
     9   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.08  -0.10   0.85    -0.01   0.01  -0.08     0.04  -0.05   0.41
    11   1    -0.09   0.02  -0.45    -0.01   0.00  -0.04     0.17  -0.03   0.82
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.03  -0.05  -0.04     0.00  -0.00  -0.00
    14   1    -0.01   0.00  -0.09     0.03  -0.01   0.20     0.02  -0.01   0.17
    15   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    16   1     0.02  -0.00   0.15     0.00   0.00  -0.01     0.01  -0.00   0.07
    17   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    20   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.01  -0.02   0.01    -0.12  -0.18   0.06    -0.00  -0.00   0.00
    22   1    -0.02   0.06   0.03    -0.24   0.79   0.47    -0.01   0.03   0.02
    23   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    24   1    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.00  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3116.6810              3771.2234              3772.6867
 Red. masses --      1.0943                 1.0657                 1.0660
 Frc consts  --      6.2629                 8.9299                 8.9393
 IR Inten    --     23.6132                69.9457                76.3255
 RamAct Fr= 1--    107.6043                54.1126               110.9603
  Dep-P Fr= 1--      0.3759                 0.1263                 0.1302
  Dep-U Fr= 1--      0.5464                 0.2242                 0.2303
 Alpha2 Fr= 1--      0.8669                 0.8879                 1.8031
 Beta2  Fr= 1--      9.7993                 2.0221                 4.2599
 AlphaG Fr= 1--     -0.1034                -0.2380                -0.4531
 Gamma2 Fr= 1--      3.1113                 2.5361                -8.3012
 Delta2 Fr= 1--      0.6970                 3.5929                -2.6984
 Raman1 Fr= 1--     430.417                216.450                443.841
 ROA1   Fr= 1--     320.992                358.441               -883.265
 CID1   Fr= 1--       0.746                  1.656                 -1.990
 Raman2 Fr= 1--     117.592                 24.266                 51.118
 ROA2   Fr= 1--      69.096                 32.123               -177.642
 CID2   Fr= 1--       0.588                  1.324                 -3.475
 Raman3 Fr= 1--     235.184                 48.531                102.236
 ROA3   Fr= 1--     320.992                358.441               -883.265
 CID3   Fr= 1--       1.365                  7.386                 -8.639
 RC180  Fr= 1--       0.093                 -0.552                 -0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02  -0.05  -0.02
    13   6    -0.04  -0.08   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    15   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.02  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1     0.00   0.00   0.00    -0.05   0.10   0.04    -0.39   0.85   0.32
    20   8     0.00   0.00   0.00    -0.04  -0.04   0.02     0.00   0.01  -0.00
    21   1     0.57   0.74  -0.29     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   1    -0.06   0.17   0.11    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.00     0.62   0.70  -0.34    -0.07  -0.08   0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3784.5652              3786.2708              3787.8875
 Red. masses --      1.0661                 1.0660                 1.0664
 Frc consts  --      8.9970                 9.0043                 9.0146
 IR Inten    --     51.3637               110.2080               111.7937
 RamAct Fr= 1--     64.7338               136.6752               197.8573
  Dep-P Fr= 1--      0.4492                 0.1521                 0.1391
  Dep-U Fr= 1--      0.6200                 0.2640                 0.2442
 Alpha2 Fr= 1--      0.3980                 2.1016                 3.1444
 Beta2  Fr= 1--      6.6888                 6.0148                 8.0514
 AlphaG Fr= 1--     -0.2638                 0.2848                 0.9870
 Gamma2 Fr= 1--     -1.6293                -4.2517                11.3803
 Delta2 Fr= 1--     -1.3717                -1.5445                 3.0968
 Raman1 Fr= 1--     258.935                546.701                791.429
 ROA1   Fr= 1--    -200.306               -457.588               1191.602
 CID1   Fr= 1--      -0.774                 -0.837                  1.506
 Raman2 Fr= 1--      80.266                 72.177                 96.617
 ROA2   Fr= 1--     -28.129                -89.685                248.352
 CID2   Fr= 1--      -0.350                 -1.243                  2.570
 Raman3 Fr= 1--     160.531                144.355                193.233
 ROA3   Fr= 1--    -200.306               -457.588               1191.602
 CID3   Fr= 1--      -1.248                 -3.170                  6.167
 RC180  Fr= 1--       0.240                 -0.472                 -0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8     0.02  -0.00   0.00    -0.06   0.01  -0.01    -0.01   0.00  -0.00
     8   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     9   8    -0.03  -0.05   0.02    -0.01  -0.01   0.01    -0.01  -0.01   0.00
    10   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    15   8    -0.00   0.01   0.01    -0.00   0.01   0.00     0.01  -0.05  -0.04
    16   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.29   0.05  -0.05     0.92  -0.16   0.15     0.08  -0.01   0.01
    18   1     0.50   0.73  -0.32     0.15   0.22  -0.09     0.10   0.14  -0.06
    19   1    -0.00   0.00   0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    20   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    23   1     0.02  -0.12  -0.09     0.02  -0.11  -0.08    -0.12   0.77   0.59
    24   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1536.043582225.701523399.31971
           X            0.99995  -0.00789  -0.00544
           Y            0.00792   0.99995   0.00641
           Z            0.00538  -0.00646   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05639     0.03892     0.02548
 Rotational constants (GHZ):           1.17493     0.81086     0.53091
 Zero-point vibrational energy     513913.4 (Joules/Mol)
                                  122.82826 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     95.89   123.85   159.37   199.33   263.25
          (Kelvin)            327.19   349.50   376.95   401.08   418.42
                              447.32   458.06   476.18   499.16   519.97
                              591.51   608.70   653.70   743.05   816.15
                              847.39   905.33  1030.72  1301.47  1322.97
                             1447.84  1464.86  1491.22  1508.15  1530.85
                             1548.87  1571.49  1585.55  1598.62  1611.48
                             1652.26  1734.47  1774.55  1788.14  1796.99
                             1804.38  1906.49  1914.90  1936.27  1939.81
                             1964.41  1986.07  2003.27  2040.22  2050.48
                             2070.07  2077.33  2104.39  2144.74  4291.49
                             4305.42  4310.29  4342.04  4346.68  4357.68
                             4484.21  5425.95  5428.05  5445.15  5447.60
                             5449.93
 
 Zero-point correction=                           0.195739 (Hartree/Particle)
 Thermal correction to Energy=                    0.208602
 Thermal correction to Enthalpy=                  0.209546
 Thermal correction to Gibbs Free Energy=         0.157484
 Sum of electronic and zero-point Energies=           -687.329354
 Sum of electronic and thermal Energies=              -687.316491
 Sum of electronic and thermal Enthalpies=            -687.315547
 Sum of electronic and thermal Free Energies=         -687.367609
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  130.899             48.358            109.573
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.831
 Vibrational            129.122             42.397             37.271
 Vibration     1          0.598              1.970              4.250
 Vibration     2          0.601              1.959              3.747
 Vibration     3          0.607              1.941              3.255
 Vibration     4          0.614              1.915              2.824
 Vibration     5          0.630              1.863              2.298
 Vibration     6          0.651              1.799              1.899
 Vibration     7          0.659              1.774              1.781
 Vibration     8          0.669              1.742              1.648
 Vibration     9          0.679              1.713              1.541
 Vibration    10          0.687              1.691              1.469
 Vibration    11          0.700              1.653              1.358
 Vibration    12          0.705              1.638              1.318
 Vibration    13          0.713              1.614              1.255
 Vibration    14          0.725              1.582              1.180
 Vibration    15          0.736              1.552              1.116
 Vibration    16          0.775              1.446              0.923
 Vibration    17          0.785              1.420              0.882
 Vibration    18          0.813              1.351              0.783
 Vibration    19          0.871              1.214              0.618
 Vibration    20          0.923              1.102              0.510
 Vibration    21          0.946              1.055              0.469
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.365147D-72        -72.437532       -166.793582
 Total V=0       0.394647D+18         17.596209         40.516769
 Vib (Bot)       0.315064D-86        -86.501601       -199.177297
 Vib (Bot)    1  0.309602D+01          0.490803          1.130117
 Vib (Bot)    2  0.239006D+01          0.378409          0.871318
 Vib (Bot)    3  0.184871D+01          0.266870          0.614490
 Vib (Bot)    4  0.146828D+01          0.166809          0.384093
 Vib (Bot)    5  0.109663D+01          0.040058          0.092238
 Vib (Bot)    6  0.867066D+00         -0.061948         -0.142640
 Vib (Bot)    7  0.806124D+00         -0.093598         -0.215518
 Vib (Bot)    8  0.740626D+00         -0.130401         -0.300259
 Vib (Bot)    9  0.690133D+00         -0.161067         -0.370870
 Vib (Bot)   10  0.657276D+00         -0.182252         -0.419651
 Vib (Bot)   11  0.607891D+00         -0.216174         -0.497760
 Vib (Bot)   12  0.591033D+00         -0.228388         -0.525884
 Vib (Bot)   13  0.564216D+00         -0.248554         -0.572318
 Vib (Bot)   14  0.532855D+00         -0.273391         -0.629505
 Vib (Bot)   15  0.506693D+00         -0.295255         -0.679850
 Vib (Bot)   16  0.429978D+00         -0.366554         -0.844021
 Vib (Bot)   17  0.414060D+00         -0.382936         -0.881744
 Vib (Bot)   18  0.376108D+00         -0.424688         -0.977879
 Vib (Bot)   19  0.313565D+00         -0.503672         -1.159747
 Vib (Bot)   20  0.272053D+00         -0.565347         -1.301759
 Vib (Bot)   21  0.256401D+00         -0.591080         -1.361012
 Vib (V=0)       0.340518D+04          3.532140          8.133053
 Vib (V=0)    1  0.363613D+01          0.560640          1.290920
 Vib (V=0)    2  0.294180D+01          0.468613          1.079021
 Vib (V=0)    3  0.241514D+01          0.382942          0.881755
 Vib (V=0)    4  0.205108D+01          0.311983          0.718367
 Vib (V=0)    5  0.170523D+01          0.231784          0.533702
 Vib (V=0)    6  0.150090D+01          0.176352          0.406066
 Vib (V=0)    7  0.144860D+01          0.160948          0.370595
 Vib (V=0)    8  0.139360D+01          0.144139          0.331893
 Vib (V=0)    9  0.135222D+01          0.131048          0.301750
 Vib (V=0)   10  0.132584D+01          0.122491          0.282046
 Vib (V=0)   11  0.128710D+01          0.109613          0.252394
 Vib (V=0)   12  0.127416D+01          0.105223          0.242285
 Vib (V=0)   13  0.125388D+01          0.098257          0.226245
 Vib (V=0)   14  0.123071D+01          0.090155          0.207590
 Vib (V=0)   15  0.121186D+01          0.083451          0.192152
 Vib (V=0)   16  0.115946D+01          0.064254          0.147950
 Vib (V=0)   17  0.114919D+01          0.060391          0.139056
 Vib (V=0)   18  0.112567D+01          0.051409          0.118374
 Vib (V=0)   19  0.109019D+01          0.037502          0.086351
 Vib (V=0)   20  0.106922D+01          0.029068          0.066930
 Vib (V=0)   21  0.106191D+01          0.026087          0.060068
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.122033D+07          6.086477         14.014631
 
                                                          ROA calculations.
                                                             IR Spectrum
 
  33333                   3333222                                      11111111111111111111111111111                                 
  77777                   1000999                                      44444433333332222211110000000 99     765554443333322222111    
  88877                   1221998                                      96432198644325443042109764310 20     12861521643119764283186  
  86531                   7918623                                      13495820586154933680122748686 05     69976431171811923739167  
 
  XXXXX                   XXXXXXX                                      XXXXXXXXXXXXXXXXXXXXXXXXXXXXX XX     XXXXXXXXXXXXXXXXXXXXXXX  
  XXXXX                   XXXXX X                                        X  X X XXX  X X XXXXXXXXXXX  X      XX X   XXXXXXX  XX      
  XXXXX                    XX X X                                           X    XX  X X XXXXXXXXXXX  X      XX X   XXXXXXX   X      
  XXXXX                    XX                                                     X  X X   XXXXXXXXX  X      X  X   XXXXXXX   X      
  XX XX                    XX                                                     X  X     XXXXXX XX                XX XX X   X      
  XX X                     XX                                                     X  X      XXXXX  X                XX XX X   X      
  XX                       XX                                                               XXXXX  X                XX XX X   X      
  XX                       X                                                                XXXXX  X                XX X  X   X      
  X                        X                                                                XXXXX  X                XX X  X   X      
                           X                                                                 XXXX  X                XX X  X          
                           X                                                                 XXXX  X                XX X             
                           X                                                                 XXXX  X                X  X             
                                                                                             XX X  X                X  X             
                                                                                             XX X  X                X  X             
                                                                                              X X  X                X                
                                                                                              X X  X                X                
                                                                                              X    X                                 
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000307   -0.000000093    0.000000390
      2        6          -0.000000317    0.000000353   -0.000001055
      3        6          -0.000000451    0.000000448    0.000001825
      4        6           0.000000505    0.000000437    0.000000144
      5        8          -0.000000121   -0.000000092   -0.000001436
      6        6          -0.000000169   -0.000000199   -0.000002718
      7        8          -0.000000323   -0.000001162    0.000003214
      8        1           0.000000865    0.000001539    0.000001178
      9        8           0.000000130    0.000000662   -0.000001745
     10        1          -0.000001085   -0.000001479   -0.000000983
     11        1          -0.000000577   -0.000001704    0.000001928
     12        8           0.000001124   -0.000000260    0.000003255
     13        6           0.000000226   -0.000000693    0.000000879
     14        1           0.000001075    0.000001915    0.000000535
     15        8          -0.000000516    0.000000502   -0.000004347
     16        1           0.000000755    0.000002012   -0.000002082
     17        1           0.000000491    0.000000196    0.000000910
     18        1          -0.000000414   -0.000000170   -0.000003460
     19        1           0.000000306    0.000000434    0.000004670
     20        8          -0.000000556   -0.000001159    0.000001279
     21        1           0.000000462    0.000000172    0.000002558
     22        1           0.000000108    0.000000610    0.000000274
     23        1          -0.000000213    0.000000550   -0.000005050
     24        1          -0.000001614   -0.000002821   -0.000000165
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000005050 RMS     0.000001561
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.121763D+03  0.164302D+01 -0.146522D+01
      2   0.164302D+01  0.114765D+03 -0.315180D+00
      3  -0.146522D+01 -0.315180D+00  0.991915D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.179760D+01 -0.942817D+01 -0.138197D+01
      2   0.119003D+02 -0.328900D+01  0.151374D+02
      3   0.178385D+01 -0.902466D+01  0.153040D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.210139D+02 -0.143598D+02  0.102719D+02
      2  -0.240366D+02  0.136927D+02  0.882963D+01
      3   0.302262D+01  0.667050D+00 -0.191015D+02
      4  -0.117181D+02 -0.831857D+01 -0.109071D+02
      5  -0.940282D+01 -0.997844D+01  0.315302D+02
      6  -0.817011D+01 -0.937130D+01 -0.304357D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.410845D+01  0.664858D+00  0.957852D-01 -0.344889D+00  0.352025D+01
      2   0.664858D+00  0.419001D+01  0.181251D+00  0.352025D+01 -0.235987D+01
      3   0.957852D-01  0.181251D+00  0.138102D+01  0.669304D+00 -0.183812D+01
                 6             7             8             9            10 
      1   0.669304D+00 -0.432152D+00  0.502567D+00  0.198941D+01  0.606336D+01
      2  -0.183812D+01  0.502567D+00 -0.335159D+01 -0.210925D+01 -0.110957D+01
      3  -0.545924D+00  0.198941D+01 -0.210925D+01  0.104645D+02  0.204144D+00
                11            12            13            14            15 
      1  -0.110957D+01  0.204144D+00 -0.136643D+01 -0.336290D+01 -0.252444D+00
      2  -0.304100D+01 -0.524183D-01 -0.336290D+01 -0.338182D+00  0.105535D+01
      3  -0.524183D-01 -0.325517D+01 -0.252444D+00  0.105535D+01  0.197118D+01
                16            17            18            19            20 
      1   0.160773D+01 -0.483101D+00 -0.176931D+01  0.336553D+01 -0.734157D+00
      2  -0.483101D+00  0.199099D+01  0.129704D+01 -0.734157D+00 -0.363943D+01
      3  -0.176931D+01  0.129704D+01 -0.101138D+02  0.685329D-01  0.608216D+00
                21            22            23            24            25 
      1   0.685329D-01 -0.131261D+01 -0.487017D+01  0.307876D+00  0.939199D+00
      2   0.608216D+00 -0.487017D+01  0.843266D+00  0.196829D+01  0.814976D+00
      3  -0.120736D+01  0.307876D+00  0.196829D+01  0.203849D+01 -0.206454D+01
                26            27            28            29            30 
      1   0.814976D+00 -0.206454D+01 -0.176110D+01  0.259704D+01 -0.570129D+00
      2   0.293431D+01  0.126325D+01  0.259704D+01  0.333433D+01 -0.305300D+00
      3   0.126325D+01 -0.979846D+01 -0.570129D+00 -0.305300D+00  0.672390D+00
                31            32            33            34            35 
      1   0.304880D+01  0.455292D+01  0.806460D+00 -0.253923D+01  0.439848D+00
      2   0.455292D+01 -0.143701D+01 -0.213468D+01  0.439848D+00 -0.297937D+01
      3   0.806460D+00 -0.213468D+01 -0.213002D+01  0.564224D+00 -0.791508D+00
                36            37            38            39            40 
      1   0.564224D+00  0.651607D+01 -0.204941D+01 -0.409825D+00 -0.398945D+01
      2  -0.791508D+00 -0.204941D+01  0.145378D+00 -0.432681D+00 -0.121255D+01
      3   0.982898D+01 -0.409825D+00 -0.432681D+00 -0.514650D+00 -0.303389D+00
                41            42            43            44            45 
      1  -0.121255D+01 -0.303389D+00  0.305170D+01  0.688983D+00  0.166395D+00
      2  -0.458558D+01  0.899041D+00  0.688983D+00  0.191926D+01 -0.692994D+00
      3   0.899041D+00  0.102888D+01  0.166395D+00 -0.692994D+00 -0.146397D+01
                46            47            48            49            50 
      1  -0.613144D+01 -0.713167D+00  0.484511D+00  0.175462D+01  0.308829D+01
      2  -0.713167D+00  0.953714D+00  0.790138D+00  0.308829D+01 -0.797749D+00
      3   0.484511D+00  0.790138D+00  0.168386D+01 -0.252983D+00 -0.128191D+01
                51            52            53            54            55 
      1  -0.252983D+00 -0.117637D+01 -0.356486D-02  0.229406D+01  0.599041D+01
      2  -0.128191D+01 -0.356486D-02 -0.232885D+01 -0.612691D+00 -0.477845D+00
      3  -0.270860D+01  0.229406D+01 -0.612691D+00  0.994878D+01  0.977723D+00
                56            57            58            59            60 
      1  -0.477845D+00  0.977723D+00  0.407571D+00 -0.141429D+01 -0.517790D+00
      2   0.917515D+00  0.145542D+00 -0.141429D+01  0.799852D+01  0.216816D+01
      3   0.145542D+00  0.813844D+00 -0.517790D+00  0.216816D+01 -0.142072D+00
                61            62            63            64            65 
      1   0.220291D+01 -0.119460D+01 -0.968032D+00 -0.162185D+00  0.290331D-01
      2  -0.119460D+01  0.380219D+01  0.243018D+01  0.290331D-01 -0.111686D+01
      3  -0.968032D+00  0.243018D+01  0.655902D+00 -0.134245D+01  0.187162D+00
                66            67            68            69            70 
      1  -0.134245D+01  0.314654D+00 -0.878810D+00  0.146105D+00 -0.245509D+01
      2   0.187162D+00 -0.878810D+00  0.983135D+00 -0.119519D+01  0.362290D+00
      3  -0.110550D+01  0.146105D+00 -0.119519D+01  0.972887D+00 -0.126970D+01
                71            72            73            74            75 
      1   0.362290D+00 -0.126970D+01 -0.792480D+01  0.287899D+01 -0.417884D+00
      2  -0.217002D+01  0.138073D+01  0.287899D+01  0.122288D+01 -0.793267D+00
      3   0.138073D+01 -0.901805D+01 -0.417884D+00 -0.793267D+00  0.147066D+01
                76            77            78            79            80 
      1   0.602807D+01  0.429854D+00 -0.896731D+00 -0.350432D+01 -0.863882D+00
      2   0.429854D+00  0.406615D+01 -0.129401D+01 -0.863882D+00 -0.191232D+01
      3  -0.896731D+00 -0.129401D+01  0.842218D+00 -0.108637D+01  0.452284D+00
                81            82            83            84            85 
      1  -0.108637D+01 -0.217128D+00  0.771563D-01  0.133531D+01 -0.113957D+00
      2   0.452284D+00  0.771563D-01  0.719033D+00 -0.234954D-01  0.710243D+00
      3  -0.970725D-01  0.133531D+01 -0.234954D-01  0.961831D+00 -0.345834D-01
                86            87            88            89            90 
      1   0.710243D+00 -0.345834D-01  0.229616D+01  0.130335D+00  0.154895D+00
      2  -0.575207D+00  0.104470D+01  0.130335D+00  0.189653D+01 -0.805201D+00
      3   0.104470D+01 -0.111452D+01  0.154895D+00 -0.805201D+00  0.969660D+01
                91            92            93            94            95 
      1   0.538668D+00 -0.245959D+00  0.134507D+01 -0.891584D-02  0.114480D+01
      2  -0.245959D+00  0.123759D+01 -0.561348D-02  0.114480D+01 -0.445824D+00
      3   0.134507D+01 -0.561348D-02  0.102233D+01  0.259669D-01  0.972922D+00
                96            97            98            99           100 
      1   0.259669D-01  0.259126D+01 -0.243568D+00  0.145444D+01  0.495722D+01
      2   0.972922D+00 -0.243568D+00  0.208423D+01 -0.137122D+00  0.248596D+01
      3  -0.201729D+00  0.145444D+01 -0.137122D+00  0.878693D+01 -0.144713D+01
               101           102           103           104           105 
      1   0.248596D+01 -0.144713D+01  0.907206D+00  0.442688D+01  0.607224D-02
      2   0.525025D+01  0.366240D-01  0.442688D+01 -0.843730D+00 -0.205571D+01
      3   0.366240D-01  0.576422D+00  0.607224D-02 -0.205571D+01 -0.150527D+01
               106           107           108           109           110 
      1  -0.213330D+01 -0.758262D+00  0.177010D+01  0.255416D+01 -0.284348D+01
      2  -0.758262D+00 -0.415490D+01  0.980257D+00 -0.284348D+01 -0.295529D+01
      3   0.177010D+01  0.980257D+00 -0.647481D+00  0.167560D+01  0.111371D+00
               111           112           113           114           115 
      1   0.167560D+01 -0.229720D+01 -0.523037D+01 -0.325073D+00  0.283650D+01
      2   0.111371D+00 -0.523037D+01  0.203835D+01  0.494939D+01 -0.571385D+00
      3  -0.900236D+00 -0.325073D+00  0.494939D+01  0.213932D+01 -0.439826D+01
               116           117           118           119           120 
      1  -0.571385D+00 -0.439826D+01  0.375012D+00 -0.247527D+00 -0.157377D+01
      2   0.501800D+01  0.292463D+01 -0.247527D+00 -0.567825D+00  0.755371D-01
      3   0.292463D+01 -0.102606D+01 -0.157377D+01  0.755371D-01 -0.411232D+00
               121           122           123           124           125 
      1  -0.207912D+00 -0.537489D+00 -0.262953D+00 -0.234501D+01 -0.332336D+00
      2  -0.537489D+00  0.678554D+00 -0.119727D+01 -0.332336D+00 -0.166473D+01
      3  -0.262953D+00 -0.119727D+01  0.648772D+00  0.552586D+00  0.458118D+00
               126           127           128           129           130 
      1   0.552586D+00 -0.287651D+01 -0.229114D+01  0.940746D+00 -0.165210D+01
      2   0.458118D+00 -0.229114D+01 -0.244938D+01 -0.683249D-01 -0.216708D+01
      3  -0.104968D+02  0.940746D+00 -0.683249D-01 -0.169484D+00  0.156304D+00
               131           132           133           134           135 
      1  -0.216708D+01  0.156304D+00  0.236472D+01  0.855861D+00 -0.128522D+01
      2   0.157395D+01  0.305100D+01  0.855861D+00  0.660985D+01  0.871342D-01
      3   0.305100D+01  0.202109D+01 -0.128522D+01  0.871342D-01  0.140645D+01
               136           137           138           139           140 
      1  -0.455158D+00 -0.945680D-01 -0.160037D+01 -0.859099D-01 -0.740846D+00
      2  -0.945680D-01 -0.451733D+00 -0.379475D+00 -0.740846D+00  0.291549D-01
      3  -0.160037D+01 -0.379475D+00 -0.109553D+01  0.936968D-01 -0.103969D+01
               141           142           143           144           145 
      1   0.936968D-01 -0.290306D+01 -0.581797D+00 -0.179664D+01 -0.830126D+01
      2  -0.103969D+01 -0.581797D+00 -0.173995D+01 -0.602008D+00  0.337358D+01
      3   0.490021D+00 -0.179664D+01 -0.602008D+00 -0.944260D+01  0.257970D+00
               146           147           148           149           150 
      1   0.337358D+01  0.257970D+00  0.223640D+01 -0.155152D+01 -0.137674D+00
      2  -0.380668D+01 -0.486155D+00 -0.155152D+01  0.171137D+01  0.275704D-01
      3  -0.486155D+00 -0.153857D+01 -0.137674D+00  0.275704D-01  0.764568D+00
               151           152           153           154           155 
      1  -0.834271D+00  0.275837D+00 -0.543560D+00 -0.564424D+01 -0.254804D+01
      2   0.275837D+00 -0.405653D+00  0.409760D+00 -0.254804D+01 -0.256897D+01
      3  -0.543560D+00  0.409760D+00  0.343373D+00  0.814635D+00  0.596920D+00
               156           157           158           159           160 
      1   0.814635D+00 -0.508594D+01 -0.266782D+01  0.832993D+00  0.214213D+01
      2   0.596920D+00 -0.266782D+01 -0.359263D+01  0.853134D+00  0.111412D+01
      3  -0.146675D+01  0.832993D+00  0.853134D+00 -0.114749D+01 -0.110472D+01
               161           162           163           164           165 
      1   0.111412D+01 -0.110472D+01 -0.102023D+01  0.647055D+00  0.428964D+00
      2   0.136000D+01 -0.613971D+00  0.647055D+00 -0.230344D+01 -0.219050D+00
      3  -0.613971D+00  0.633882D+00  0.428964D+00 -0.219050D+00 -0.283637D+00
               166           167           168           169           170 
      1   0.207689D+01 -0.115287D+00 -0.294747D+00  0.769587D+00 -0.110600D+00
      2  -0.115287D+00  0.898486D+01  0.767307D+00 -0.110600D+00  0.215760D+01
      3  -0.294747D+00  0.767307D+00  0.176181D+01 -0.132227D+00  0.899645D+00
               171           172           173           174           175 
      1  -0.132227D+00  0.440181D+01  0.101384D+01  0.183740D+01  0.221876D+01
      2   0.899645D+00  0.101384D+01  0.236396D+01 -0.134501D+01  0.233249D+01
      3   0.247415D+00  0.183740D+01 -0.134501D+01  0.260275D+01 -0.652849D+00
               176           177           178           179           180 
      1   0.233249D+01 -0.652849D+00  0.155385D+01 -0.893870D+00  0.430117D+01
      2   0.190270D+01 -0.901607D-01 -0.893870D+00 -0.101905D+01 -0.835914D+00
      3  -0.901607D-01  0.189309D+01  0.430117D+01 -0.835914D+00  0.393981D+01
               181           182           183           184           185 
      1   0.493017D+01  0.273782D+01 -0.152541D+01  0.450830D+01  0.278162D+01
      2   0.273782D+01  0.228742D+01 -0.603670D+00  0.278162D+01  0.391306D+01
      3  -0.152541D+01 -0.603670D+00  0.144768D+01 -0.904015D+00 -0.179639D+01
               186           187           188           189           190 
      1  -0.904015D+00 -0.194796D+01 -0.586905D+00  0.173435D+01  0.179504D+01
      2  -0.179639D+01 -0.586905D+00 -0.151376D+01  0.990524D+00 -0.149357D+01
      3   0.156550D+01  0.173435D+01  0.990524D+00 -0.119406D+01 -0.160919D+01
               191           192           193           194           195 
      1  -0.149357D+01 -0.160919D+01 -0.305145D+01  0.353619D+01  0.145086D+01
      2   0.163702D+01  0.665427D+00  0.353619D+01 -0.658035D+01 -0.348399D+01
      3   0.665427D+00  0.103491D+01  0.145086D+01 -0.348399D+01 -0.369169D+01
               196           197           198           199           200 
      1  -0.236065D+01  0.139680D+01  0.200034D+01 -0.322088D+00 -0.605803D+00
      2   0.139680D+01 -0.313007D+01 -0.292291D+01 -0.605803D+00  0.566173D+00
      3   0.200034D+01 -0.292291D+01 -0.376299D+01 -0.249973D+00  0.229631D+00
               201           202           203           204           205 
      1  -0.249973D+00 -0.148626D+01 -0.814339D+00 -0.461540D-01 -0.871555D+00
      2   0.229631D+00 -0.814339D+00 -0.984052D+01 -0.218445D+01 -0.373060D+00
      3   0.109566D+00 -0.461540D-01 -0.218445D+01 -0.229346D+01 -0.120228D+00
               206           207           208           209           210 
      1  -0.373060D+00 -0.120228D+00 -0.256284D+01 -0.105109D+01  0.279729D+00
      2  -0.535401D+01 -0.229189D+01 -0.105109D+01 -0.192468D+01  0.108665D+01
      3  -0.229189D+01 -0.151374D+01  0.279729D+00  0.108665D+01 -0.182916D+01
               211           212           213           214           215 
      1  -0.249827D+01 -0.960054D+00  0.385749D+00  0.114724D+01  0.415314D+00
      2  -0.960054D+00 -0.332640D+01  0.183470D+01  0.415314D+00  0.195131D+01
      3   0.385749D+00  0.183470D+01 -0.265705D+01 -0.443168D+00 -0.115809D+01
               216 
      1  -0.443168D+00
      2  -0.115809D+01
      3   0.262248D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.243967D-01  0.157241D+00 -0.289301D+01 -0.117382D+01  0.877739D+00
      2  -0.110574D+00 -0.418264D+00 -0.347535D+00  0.563899D+00  0.221154D+01
      3  -0.212522D+01 -0.280991D+00 -0.582746D-01  0.453859D+01  0.141961D+01
                 6             7             8             9            10 
      1   0.225610D+01 -0.170515D+01  0.515677D+01 -0.833413D+01 -0.470742D+00
      2   0.158527D+01 -0.410739D+01  0.925921D+00 -0.619285D+01 -0.191440D+01
      3  -0.514318D+00  0.106759D+00 -0.225813D+01  0.363318D+00 -0.259117D+01
                11            12            13            14            15 
      1  -0.173719D+01 -0.847233D+00  0.387942D+00  0.208805D+00 -0.215430D+01
      2  -0.100346D+01  0.242401D+01 -0.244244D+00 -0.163421D+01 -0.313652D+01
      3  -0.551698D+01  0.170932D-02  0.267139D-01  0.342081D+00  0.189574D+01
                16            17            18            19            20 
      1  -0.113190D+01  0.389155D+01 -0.152711D+01  0.240754D+00 -0.272874D+00
      2  -0.105674D+01 -0.181451D+01  0.131867D+02 -0.355892D+00  0.114302D+01
      3  -0.707369D+00  0.258935D+01  0.228849D+01  0.265192D+01 -0.104035D+01
                21            22            23            24            25 
      1   0.334010D+01 -0.131794D+00 -0.209599D+01 -0.189070D+01  0.294731D+01
      2   0.703794D+00 -0.145222D+01  0.823302D+00 -0.848181D+00 -0.445236D+01
      3  -0.598539D+00  0.470604D+01 -0.530076D+01 -0.269576D+01  0.178846D+00
                26            27            28            29            30 
      1   0.156849D+01  0.722203D+01 -0.221719D+01 -0.780395D+00  0.159272D+01
      2   0.327418D+00 -0.404085D+01 -0.711847D+01  0.341876D+01 -0.392355D+00
      3  -0.109109D+01 -0.294642D+01 -0.769268D+01 -0.953078D+01 -0.330542D+00
                31            32            33            34            35 
      1  -0.785621D+00  0.572650D+00  0.252903D+01  0.295071D+00  0.434601D+01
      2   0.203484D+01 -0.141258D+01 -0.433743D+01 -0.445355D+01  0.322644D+00
      3  -0.694421D+01  0.201183D+01  0.385619D+01  0.819647D+00  0.340686D+01
                36            37            38            39            40 
      1  -0.272233D+00  0.147087D+01 -0.190481D+00 -0.208222D+01  0.147026D+01
      2   0.142349D+02  0.375329D+01 -0.674346D+00  0.111779D+02 -0.196469D+01
      3   0.194159D+01 -0.859011D+01 -0.536665D+01  0.129661D+00  0.169789D+02
                41            42            43            44            45 
      1   0.256455D+01 -0.691612D+01  0.199868D+01  0.276468D+01  0.103503D+01
      2  -0.114126D+01  0.202974D+01 -0.607915D+01 -0.133812D+01 -0.180886D+00
      3   0.527797D+01 -0.488193D+00 -0.352199D+01 -0.155766D+01 -0.302552D+00
                46            47            48            49            50 
      1   0.851507D+00 -0.575319D+00  0.249491D+01 -0.990815D+00 -0.328867D+01
      2  -0.315804D+01 -0.138312D+01 -0.743047D+01  0.397790D-01  0.301194D+01
      3   0.699485D+01  0.561382D+01 -0.253838D+00  0.160316D+01 -0.598218D+00
                51            52            53            54            55 
      1  -0.599941D-01  0.630643D+00  0.168618D+01  0.947457D+01 -0.274933D+01
      2   0.138633D+01 -0.662375D+01 -0.975510D+00 -0.108990D+02 -0.652025D+01
      3  -0.232224D+01  0.104335D+01 -0.181962D+01 -0.350636D+01  0.177804D+02
                56            57            58            59            60 
      1   0.857234D+00 -0.696468D+00  0.225731D+01 -0.291391D+01 -0.728200D+01
      2   0.323826D+01  0.207603D+01  0.121119D+01 -0.314859D+01 -0.148846D+01
      3  -0.450299D+01  0.840452D+00  0.530805D+01  0.759521D+01  0.968964D+00
                61            62            63            64            65 
      1   0.665227D+00  0.968894D+00 -0.389362D+01  0.136616D+01  0.406396D+00
      2  -0.446030D+01 -0.166338D+01 -0.193185D+01  0.101058D+01 -0.434276D+00
      3   0.492662D+01  0.297870D+01  0.110120D+01 -0.262967D+00 -0.188468D+01
                66            67            68            69            70 
      1   0.917727D+00  0.100922D+00  0.136039D+01 -0.158300D+01  0.104523D+01
      2   0.202094D+01 -0.209031D-01  0.514099D+00 -0.346569D+00 -0.341842D+01
      3  -0.123174D+01  0.901704D+00 -0.168420D+00 -0.876878D+00 -0.295815D+01
                71            72            73            74            75 
      1   0.336898D+01  0.103189D+02  0.532028D+00 -0.331316D-01  0.806504D+00
      2  -0.665243D+00  0.732242D+01  0.518320D+01  0.290623D+01  0.505589D+01
      3  -0.181133D+01 -0.110580D+00  0.109225D+02 -0.294408D+01 -0.281366D+01
                76            77            78            79            80 
      1  -0.147835D+01  0.107314D+01 -0.243474D+01  0.101237D+01  0.327570D+01
      2   0.270681D+01  0.370998D+01 -0.398074D+01 -0.242738D+01 -0.202312D+01
      3   0.808746D+01  0.171717D+02 -0.347836D+01 -0.270150D+01 -0.680925D+01
                81            82            83            84            85 
      1  -0.467274D-01  0.281130D+00  0.891216D+00  0.255630D+00  0.478462D+00
      2   0.281546D+01 -0.291595D+01  0.103294D+00 -0.111551D+01  0.590130D+00
      3   0.160161D+01  0.173526D+00 -0.120595D+00 -0.209909D+00  0.194499D+01
                86            87            88            89            90 
      1  -0.312708D+00 -0.146321D+01  0.207668D+00  0.406202D+01  0.110732D+01
      2  -0.179171D+01  0.151843D+01 -0.509828D+01  0.972479D+00 -0.139116D+02
      3  -0.696286D+00  0.156207D+01 -0.400401D+00  0.258014D+01 -0.592102D+00
                91            92            93            94            95 
      1  -0.199605D+01  0.865786D+00 -0.125973D+01  0.421673D+00 -0.147548D+01
      2   0.167545D+00  0.548337D+00  0.832955D+00  0.965969D+00  0.123728D+00
      3   0.125356D+01 -0.224656D+01  0.146374D+01  0.232792D+00  0.988491D+00
                96            97            98            99           100 
      1  -0.225678D+00 -0.208210D+01  0.437790D+01 -0.880152D+01  0.239512D+01
      2   0.106764D+00 -0.395478D+01  0.324829D+00  0.487996D+01 -0.171006D+00
      3  -0.696122D+00  0.267030D+01 -0.209826D+01  0.150315D+01  0.936662D+01
               101           102           103           104           105 
      1  -0.240264D+01 -0.418838D+01 -0.117691D+01  0.748895D+01 -0.199653D+01
      2  -0.340732D+00  0.536860D+01  0.134806D+01 -0.122656D+01  0.140510D+01
      3  -0.110938D+02 -0.258089D+01 -0.596711D+00  0.108397D+02  0.351122D+01
               106           107           108           109           110 
      1  -0.300818D+01  0.514990D+01  0.363397D+01  0.363682D+01  0.141259D+01
      2  -0.184743D+01  0.104124D+01 -0.177624D+01  0.968292D+01 -0.285520D+01
      3  -0.536860D+01  0.532533D+01  0.204346D+01  0.795237D+01  0.900756D+01
               111           112           113           114           115 
      1  -0.160455D+01  0.211998D+01  0.195087D+01 -0.434672D+01 -0.217501D+01
      2   0.184388D+00 -0.333405D+01  0.106110D+02  0.648522D+01 -0.993284D+01
      3  -0.130744D+01  0.201065D+02 -0.223684D+01 -0.123659D+02 -0.381835D+00
               116           117           118           119           120 
      1  -0.356144D+01 -0.293532D+01 -0.195929D-01  0.124957D+01  0.320812D+00
      2   0.705537D+01 -0.621970D+01 -0.282625D+01 -0.314080D+00 -0.605774D+00
      3  -0.117560D+02 -0.515495D+01  0.396670D+00  0.154125D+00  0.287395D+00
               121           122           123           124           125 
      1   0.279496D+00 -0.152847D+01 -0.105014D+00  0.285921D+00  0.511446D+01
      2  -0.884762D-01 -0.236432D+01  0.961296D+00 -0.613399D+01  0.411154D+00
      3   0.260481D+01 -0.168400D+01  0.182379D+01  0.650141D+00  0.256358D+01
               126           127           128           129           130 
      1  -0.164564D+01  0.148454D+01  0.388817D+00 -0.272481D+01  0.162899D+01
      2  -0.142416D+02 -0.251138D+01 -0.445322D+00  0.514329D+01  0.282434D+00
      3  -0.187545D+01  0.461585D+01 -0.599165D+01 -0.216462D+01  0.606121D+01
               131           132           133           134           135 
      1   0.126767D+02 -0.195695D+01 -0.128180D+01  0.733941D+01  0.738938D+01
      2  -0.551991D+01 -0.772209D-01 -0.102890D+01 -0.612019D+00 -0.374356D+01
      3   0.668803D+01  0.481782D+01 -0.584766D+01  0.983642D+01  0.328887D+01
               136           137           138           139           140 
      1  -0.206808D+01  0.555357D-01 -0.974471D+00  0.716134D+00 -0.157252D+01
      2   0.139037D+01  0.524679D+00  0.175579D+01  0.697264D+00  0.755453D+00
      3   0.929386D+00 -0.194770D+01  0.192678D+01  0.111232D+00  0.160793D+01
               141           142           143           144           145 
      1   0.388145D+00 -0.990938D+00  0.506223D+01 -0.101372D+02  0.129275D+01
      2  -0.112055D+01 -0.361881D+01  0.206595D-01  0.107188D+02  0.539975D+01
      3  -0.117282D+01  0.365562D+01 -0.189686D+01  0.260716D+01 -0.195842D+02
               146           147           148           149           150 
      1  -0.795101D+00  0.360600D+01 -0.241700D+00  0.507555D+00 -0.144805D+01
      2  -0.169088D+01  0.325390D+01 -0.131254D+01  0.803075D+00 -0.119794D+01
      3   0.938407D+00 -0.133674D+00  0.343177D+01 -0.226268D+01 -0.532995D+00
               151           152           153           154           155 
      1   0.141740D+01 -0.345714D+00 -0.409895D+00  0.841332D-01  0.124031D+00
      2   0.918237D+00 -0.854613D+00 -0.205257D-01 -0.275517D+01 -0.210088D+01
      3  -0.231370D+01 -0.198105D+00 -0.699507D+00 -0.828315D+01 -0.916056D+01
               156           157           158           159           160 
      1  -0.761097D+00  0.481330D+00 -0.847254D+00 -0.870778D+00 -0.312832D+00
      2   0.468680D+01 -0.296574D+01 -0.307777D+01  0.434511D+01  0.255272D+01
      3   0.214478D+01 -0.781860D+01 -0.147266D+02  0.291317D+01  0.358844D+01
               161           162           163           164           165 
      1   0.712945D+00  0.387656D+00 -0.187981D+01  0.236767D+01  0.167254D+01
      2   0.210089D+01 -0.187488D+01  0.248730D+00 -0.110194D+00 -0.607912D+00
      3   0.488731D+01 -0.192187D+01 -0.607626D+01  0.590002D+01  0.212545D+01
               166           167           168           169           170 
      1   0.150574D+01 -0.713248D+01 -0.578376D+01  0.796668D+00 -0.283104D+01
      2  -0.544300D-01  0.621016D+00  0.149903D+01 -0.108773D+01  0.919740D+00
      3   0.765393D+01 -0.154122D+02 -0.251040D+01  0.334940D+01 -0.416456D+01
               171           172           173           174           175 
      1  -0.145946D+01  0.267065D+01  0.307258D+01  0.202175D+01  0.109316D+01
      2   0.412347D+00 -0.131324D+00 -0.654016D+01  0.141481D+02 -0.509286D+01
      3  -0.188956D+01 -0.875300D+01 -0.115085D+02  0.319025D+01 -0.684830D+01
               176           177           178           179           180 
      1   0.386435D+01 -0.406732D+01  0.860134D+00  0.548292D+01  0.570373D+01
      2  -0.264569D+01  0.544362D+01  0.568877D+01  0.349837D+00  0.138572D+02
      3  -0.663825D+01  0.912735D+00  0.218187D+01  0.169314D+01 -0.116634D+01
               181           182           183           184           185 
      1  -0.263861D+01 -0.207398D+01 -0.141480D+00 -0.223848D+01 -0.390155D+01
      2  -0.116290D+01 -0.215887D+00  0.477900D+01  0.875158D+00 -0.354497D+01
      3  -0.926774D+01 -0.953213D+01  0.260817D+01 -0.817541D+01 -0.150230D+02
               186           187           188           189           190 
      1   0.405229D+00  0.721211D+00  0.288905D+01 -0.911736D+00  0.993317D-01
      2   0.511662D+01  0.226864D+01  0.252744D+01 -0.218971D+01 -0.313821D+01
      3   0.565395D+01  0.222470D+01  0.504552D+01 -0.363417D+01  0.240128D+01
               191           192           193           194           195 
      1  -0.111812D+01  0.943171D+00 -0.148627D+01  0.353018D+01 -0.281464D+01
      2   0.111779D+01  0.272829D+01  0.640036D+00 -0.708231D+01 -0.103826D+02
      3  -0.492452D+01 -0.872132D+00 -0.443675D+01  0.159971D+02  0.827109D+01
               196           197           198           199           200 
      1   0.512965D+00  0.163516D+01 -0.161883D+01 -0.207438D+00  0.994867D+00
      2   0.176672D+01 -0.704425D+01 -0.932131D+01  0.801383D+00 -0.115027D+00
      3  -0.118405D+01  0.772647D+01  0.662249D+01 -0.100245D+01  0.177404D+01
               201           202           203           204           205 
      1   0.788335D+00 -0.322958D+00 -0.837076D+01 -0.731109D+01 -0.295697D+00
      2   0.489241D-01 -0.437970D+00  0.346882D+01  0.328245D+01 -0.658454D+00
      3   0.106053D+01  0.383288D+01 -0.141324D+02 -0.383516D+01  0.228101D+01
               206           207           208           209           210 
      1  -0.694879D+01 -0.496380D+01 -0.213456D+01 -0.286430D+01 -0.586771D+00
      2   0.348222D+01  0.224000D+01  0.641863D+01  0.548378D+01 -0.629269D+01
      3  -0.781638D+01 -0.364689D+01  0.796907D+01  0.682175D+01 -0.306619D+01
               211           212           213           214           215 
      1  -0.218128D+01 -0.307841D+01 -0.464272D+00  0.408011D+00  0.221749D+01
      2   0.501255D+01  0.793597D+01 -0.824872D+01 -0.363760D+01 -0.461174D+01
      3   0.757205D+01  0.976041D+01 -0.542971D+01 -0.229144D+01 -0.535560D+01
               216 
      1   0.527173D+00
      2   0.760874D+01
      3   0.408543D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.659334D+01 -0.827133D+01 -0.687120D+00 -0.476456D+01  0.881748D+01
      2  -0.212227D+01  0.123162D+02  0.108141D-01  0.770158D+01 -0.192284D+02
      3  -0.447107D+01 -0.404492D+01  0.676306D+00 -0.293702D+01  0.104110D+02
      4  -0.165638D+01 -0.673038D+01 -0.490715D-01 -0.124797D+02  0.106870D+02
      5   0.175839D+01 -0.201101D+01 -0.471796D+01 -0.480217D+01  0.152870D+01
      6   0.169023D+01  0.270921D+01  0.741282D+01  0.335415D+01 -0.907395D+01
                 6             7             8             9            10 
      1   0.411801D+01  0.192041D+01  0.530559D+01  0.872107D+01 -0.337683D+02
      2  -0.180330D+01  0.277873D+01 -0.141773D+02  0.437948D+01  0.184764D+02
      3  -0.231471D+01 -0.469914D+01  0.887168D+01 -0.131005D+02  0.152919D+02
      4   0.270888D+01 -0.260318D+01  0.652758D+01  0.747317D+01  0.539407D+01
      5   0.459027D+01 -0.430473D+01  0.450897D+01 -0.195350D+02 -0.227534D+01
      6  -0.115484D+02  0.594267D+01 -0.766009D+01  0.241271D+02 -0.563338D+00
                11            12            13            14            15 
      1  -0.243736D+00  0.283111D+01  0.384557D+01  0.972815D+01 -0.358940D+00
      2   0.303016D+01  0.256294D+01 -0.222743D+01 -0.300171D+01 -0.121985D+01
      3  -0.278642D+01 -0.539405D+01 -0.161815D+01 -0.672644D+01  0.157879D+01
      4  -0.154927D+01 -0.157113D+00  0.889946D+01  0.203605D+00 -0.238370D+01
      5  -0.452286D+00 -0.215910D+01  0.142776D+01 -0.132384D+01 -0.588362D+01
      6  -0.279041D+00  0.217926D+01 -0.126579D+01  0.398526D+00  0.169576D+00
                16            17            18            19            20 
      1  -0.610027D+01  0.178564D+01  0.168955D+02 -0.363159D+01  0.616495D+01
      2   0.378656D+01 -0.490188D+01  0.536823D+01  0.699093D+00 -0.119656D+02
      3   0.231372D+01  0.311624D+01 -0.222638D+02  0.293250D+01  0.580060D+01
      4   0.298266D+01 -0.349461D+01 -0.348985D+01 -0.328792D+01 -0.104671D+02
      5   0.578101D+01 -0.370610D+01  0.284452D+02  0.135920D+01  0.365223D+01
      6   0.627962D+00 -0.176255D+00  0.610017D+01 -0.337252D+00  0.421993D+01
                21            22            23            24            25 
      1  -0.210570D+01  0.131360D+01 -0.271047D+01 -0.472250D+01  0.247090D+01
      2   0.380932D+00 -0.756867D+01 -0.174160D+01  0.239596D+01  0.416201D+01
      3   0.172477D+01  0.625506D+01  0.445207D+01  0.232654D+01 -0.663291D+01
      4   0.123848D+01 -0.161850D+02 -0.839109D+01  0.179176D+01  0.502541D+01
      5  -0.595713D+01  0.269175D+01  0.406205D+01 -0.103084D+01 -0.371343D+01
      6  -0.793522D+01  0.309929D+01  0.594804D+01 -0.415087D+01 -0.451980D+01
                26            27            28            29            30 
      1  -0.139334D+01  0.398688D+00 -0.180969D+02  0.947489D+01 -0.885945D+00
      2   0.612216D+01  0.957945D+01  0.923084D+01 -0.106105D+02  0.130125D+01
      3  -0.472882D+01 -0.997814D+01  0.886602D+01  0.113560D+01 -0.415302D+00
      4   0.759577D+01 -0.170419D+01 -0.206234D+01 -0.228934D+01 -0.629424D+00
      5   0.680059D+00 -0.134825D+02 -0.168778D+01 -0.154438D+01 -0.283071D+01
      6   0.725613D+00 -0.186677D+02 -0.249478D+00 -0.199102D+01 -0.198064D+01
                31            32            33            34            35 
      1   0.384827D+01  0.147515D+02 -0.451847D+01 -0.454086D+01 -0.113117D+01
      2  -0.293453D+01 -0.151269D+02 -0.389658D+01  0.167097D+01 -0.663750D+00
      3  -0.913739D+00  0.375355D+00  0.841504D+01  0.286989D+01  0.179492D+01
      4  -0.489536D+01 -0.103668D+02 -0.588408D+01  0.443252D+01 -0.318919D+01
      5   0.129051D+01 -0.863358D+01 -0.936477D+01  0.572761D+00 -0.258119D+01
      6  -0.435608D+01  0.418837D+01 -0.323520D+01 -0.169208D+01  0.726547D+00
                36            37            38            39            40 
      1   0.220787D+02  0.174504D+02 -0.197982D+01  0.212260D+01 -0.268763D+00
      2   0.156806D+02 -0.113353D+02  0.109509D+01 -0.111968D+01  0.121479D+01
      3  -0.377593D+02 -0.611519D+01  0.884736D+00 -0.100292D+01 -0.946031D+00
      4  -0.321237D+01 -0.955330D+01  0.179179D+02  0.104902D+00  0.173332D+02
      5   0.242536D+02  0.226714D+01  0.466352D+00  0.219169D+02 -0.162223D+01
      6   0.175128D+00  0.152330D+01  0.309676D+00  0.625754D+01  0.987720D+00
                41            42            43            44            45 
      1  -0.167085D+02  0.392278D+01  0.398525D+01  0.281515D+01 -0.770775D+01
      2   0.241913D+02  0.151438D+01 -0.468109D+01 -0.377487D+01 -0.457807D+01
      3  -0.748285D+01 -0.543717D+01  0.695845D+00  0.959720D+00  0.122858D+02
      4  -0.829683D-01  0.692404D+00 -0.691593D+01 -0.849862D+00 -0.203932D+01
      5   0.188835D+01  0.346002D+01  0.688441D+01 -0.157562D+01  0.983180D+00
      6  -0.909871D+00  0.927435D+01 -0.138010D+01  0.734150D+01 -0.102232D-01
                46            47            48            49            50 
      1  -0.158632D+02  0.473560D+01  0.264389D+01 -0.554280D+01 -0.107606D+01
      2   0.135922D+02 -0.661749D+01  0.729642D+00 -0.342711D+01 -0.769537D+01
      3   0.227102D+01  0.188189D+01 -0.337353D+01  0.896991D+01  0.877142D+01
      4   0.635312D+01 -0.190066D+02 -0.238100D+01 -0.204312D+02 -0.104423D+02
      5   0.146707D+01 -0.168280D+00 -0.208920D+02  0.239789D+01  0.212934D+01
      6  -0.118676D+01  0.157320D+01 -0.991260D+01  0.589592D+00  0.586861D+01
                51            52            53            54            55 
      1  -0.409112D+01  0.518062D+01 -0.421768D+01  0.706914D+01 -0.136470D+02
      2  -0.565348D+00  0.324862D+01  0.772242D+01  0.181336D+02  0.312501D+01
      3   0.465647D+01 -0.842925D+01 -0.350475D+01 -0.252028D+02  0.105220D+02
      4   0.298959D+01  0.245306D+01  0.559414D+01 -0.144619D+01  0.263572D+02
      5   0.175993D+01 -0.859398D+01 -0.956260D-02 -0.249328D+02 -0.732230D+00
      6  -0.580214D+01 -0.460123D+01 -0.204555D+00 -0.229794D+02  0.449549D+01
                56            57            58            59            60 
      1   0.437830D+01 -0.180346D+01  0.484556D+01 -0.299963D+02 -0.847366D+01
      2  -0.118360D+01  0.247211D+01 -0.645826D+01  0.485223D+02  0.645770D+01
      3  -0.319470D+01 -0.668648D+00  0.161270D+01 -0.185260D+02  0.201596D+01
      4   0.395245D+00  0.309903D+01  0.106017D+02 -0.215024D+02 -0.599300D+01
      5   0.569425D-01  0.587161D+01  0.268216D+01 -0.418091D+01 -0.216752D+01
      6  -0.129678D+01  0.274511D+00 -0.329739D+01  0.148225D+02  0.155387D+02
                61            62            63            64            65 
      1  -0.277659D+01 -0.111096D+02 -0.119388D+02  0.117082D+01  0.111234D+01
      2  -0.111559D+01  0.166607D+02  0.249251D+01 -0.362420D+01 -0.185985D+01
      3   0.389218D+01 -0.555104D+01  0.944625D+01  0.245338D+01  0.747510D+00
      4   0.107176D+02 -0.117008D+02 -0.643414D+01 -0.169451D+01  0.417216D+01
      5   0.803138D+01 -0.596295D+01 -0.425528D+01  0.465523D+01 -0.131918D+01
      6  -0.408613D+01  0.191689D+02  0.963186D+01 -0.409215D+01  0.472372D+00
                66            67            68            69            70 
      1   0.191599D+01  0.109320D+01 -0.437787D+01  0.347319D+01  0.172146D+01
      2  -0.287100D+01 -0.177079D+01  0.362851D+01 -0.303906D+01 -0.304957D+01
      3   0.955014D+00  0.677592D+00  0.749362D+00 -0.434125D+00  0.132811D+01
      4  -0.366414D+01  0.388965D+01 -0.324262D+01  0.291101D+01 -0.551874D+01
      5   0.951209D+01 -0.299650D+00  0.277842D+01 -0.191665D+01  0.760289D+01
      6  -0.279072D+01  0.103091D+01 -0.447597D+01  0.899542D+01 -0.415094D+01
                71            72            73            74            75 
      1   0.517906D+01 -0.145277D+02  0.538670D+02 -0.173301D+02  0.362329D+01
      2  -0.436515D+01 -0.130245D+02 -0.323588D+02  0.830533D+01 -0.347235D+01
      3  -0.813912D+00  0.275522D+02 -0.215081D+02  0.902477D+01 -0.150934D+00
      4   0.484658D+01 -0.490907D+01 -0.208524D+02  0.464072D+01  0.414165D+01
      5  -0.314840D+01  0.205787D+02  0.757567D+01  0.524945D+01  0.107971D+02
      6   0.865419D+01 -0.269603D+02  0.833138D+00  0.595897D+00 -0.190031D+01
                76            77            78            79            80 
      1  -0.348371D+02 -0.937281D+01  0.487438D+01  0.204190D+02  0.481151D+01
      2   0.190472D+02  0.905638D+01 -0.261801D+01 -0.114311D+02 -0.226688D+01
      3   0.157899D+02  0.316427D+00 -0.225637D+01 -0.898788D+01 -0.254463D+01
      4  -0.115850D+01 -0.228997D+02  0.749973D+01  0.445706D+01  0.983051D+01
      5   0.626378D+01  0.855300D+01 -0.622417D+01  0.126672D+02 -0.400987D+01
      6   0.199351D+01  0.195819D+01  0.555528D+01 -0.117459D+01  0.405689D+01
                81            82            83            84            85 
      1   0.104129D+01  0.879554D+00  0.177697D+00 -0.634699D+01  0.562952D+00
      2  -0.767896D+01 -0.395714D+01 -0.584288D-01  0.102426D+01 -0.302393D+00
      3   0.663767D+01  0.307758D+01 -0.119268D+00  0.532273D+01 -0.260558D+00
      4  -0.377122D+01 -0.354624D+00  0.341551D+00 -0.193840D+00  0.192142D+00
      5   0.443663D+01 -0.240073D+01 -0.344514D+00  0.385658D+01 -0.222498D+00
      6   0.680706D+00 -0.757980D+00  0.501860D+00 -0.580435D+00  0.200762D+00
                86            87            88            89            90 
      1  -0.562367D+01  0.219597D+01 -0.899243D+01  0.177427D+01 -0.206722D+02
      2   0.101126D+01  0.176806D+00  0.401247D+01  0.723947D+00 -0.164460D+02
      3   0.461241D+01 -0.237278D+01  0.497996D+01 -0.249822D+01  0.371182D+02
      4   0.159659D+01 -0.269258D+01 -0.941778D+00 -0.469901D+01  0.191462D+01
      5  -0.305009D+01  0.258339D+01  0.474161D+01  0.252084D+01 -0.263882D+02
      6  -0.181529D+01  0.825717D+01 -0.168314D+00  0.515973D+01 -0.536688D+01
                91            92            93            94            95 
      1   0.255557D+01 -0.245770D+01  0.197148D+01 -0.195176D+01 -0.583027D+00
      2  -0.405005D+01  0.324662D+01 -0.190020D+01  0.241940D+01 -0.132558D+01
      3   0.149448D+01 -0.788924D+00 -0.712767D-01 -0.467633D+00  0.190861D+01
      4   0.416065D+00  0.368069D+01  0.135047D+01  0.416407D+01  0.575640D+00
      5   0.400114D+01 -0.873132D+00  0.712432D+01 -0.393037D+00  0.237152D+01
      6   0.224104D+01 -0.777994D-01  0.225059D+01  0.464279D+00  0.135734D+01
                96            97            98            99           100 
      1  -0.145176D+01  0.215735D+01 -0.328096D+01 -0.109491D+02  0.154042D+02
      2   0.236039D+01 -0.411321D+01  0.568626D+01 -0.155816D+02 -0.364442D+01
      3  -0.908630D+00  0.195587D+01 -0.240530D+01  0.265307D+02 -0.117598D+02
      4   0.274212D+01  0.315689D+01  0.388196D+01  0.119962D+01  0.237903D+02
      5   0.312950D-01  0.716891D+01 -0.521669D+00  0.163146D+02 -0.496746D+01
      6   0.510755D+01  0.273133D+01  0.377681D+01  0.176980D+02 -0.647431D+01
               101           102           103           104           105 
      1  -0.999401D+01 -0.866695D+00 -0.331048D+01  0.965609D+01  0.778014D+01
      2   0.236760D+02  0.330608D+01  0.133732D+02 -0.873980D+01 -0.899183D+01
      3  -0.136820D+02 -0.243938D+01 -0.100627D+02 -0.916291D+00  0.121168D+01
      4   0.266110D+02 -0.444733D+01  0.231701D+02  0.149509D+02 -0.424590D+01
      5  -0.120691D+01  0.113471D+02 -0.139848D+01 -0.800406D+01  0.169178D+01
      6  -0.317948D+01  0.719833D+01 -0.243641D+01 -0.119118D+02  0.919155D+01
               106           107           108           109           110 
      1  -0.304909D+01  0.119328D+02 -0.360932D+01  0.915572D+01 -0.177161D+02
      2   0.886853D+00 -0.187436D+02 -0.394457D+01 -0.677331D+01  0.138693D+02
      3   0.216224D+01  0.681086D+01  0.755389D+01 -0.238241D+01  0.384681D+01
      4  -0.926227D+01 -0.111920D+02  0.731833D+01 -0.146846D+02 -0.167057D+02
      5   0.106906D+02  0.400394D+01 -0.398529D+01  0.823122D+01  0.263734D+01
      6   0.874179D+01  0.117717D+02 -0.847008D+01 -0.611265D+00  0.539962D+01
               111           112           113           114           115 
      1   0.849502D+01 -0.185987D+02 -0.204468D+02  0.627802D+01  0.649203D+01
      2  -0.160688D+01  0.144260D+02  0.550199D+01 -0.100998D+02 -0.203164D+01
      3  -0.688814D+01  0.417270D+01  0.149448D+02  0.382181D+01 -0.446039D+01
      4   0.246483D-01 -0.282851D+02  0.128790D+02  0.274412D+02  0.793782D+00
      5  -0.108784D+02  0.220031D+01  0.319735D+02  0.145814D+02 -0.363805D+02
      6   0.321340D+01  0.104450D+02 -0.116016D+02 -0.117400D+02  0.945803D+01
               116           117           118           119           120 
      1   0.706420D+01 -0.147598D+02  0.150881D+01 -0.474175D+00 -0.529889D+01
      2  -0.611930D+01  0.844493D+01 -0.487564D+01  0.412407D+00  0.102151D+01
      3  -0.944900D+00  0.631490D+01  0.336683D+01  0.617683D-01  0.427738D+01
      4   0.214847D+02  0.184910D+02 -0.390441D+00  0.167488D+01  0.129928D+01
      5   0.174367D+02 -0.578373D+01 -0.339813D+01  0.707115D-01  0.621915D+01
      6  -0.212101D+02 -0.379808D+01  0.685869D+00  0.970341D+00 -0.181503D+00
               121           122           123           124           125 
      1   0.685574D-02 -0.619175D+01  0.671208D+00 -0.545321D+01  0.130088D+01
      2  -0.422288D+00  0.118861D+01  0.183597D+01  0.577287D+01  0.111139D+01
      3   0.415432D+00  0.500314D+01 -0.250718D+01 -0.319655D+00 -0.241227D+01
      4   0.162573D+01  0.187308D+01 -0.202844D+01  0.141284D+01 -0.281921D+01
      5  -0.535420D+00 -0.276976D+01  0.263706D+01  0.800890D+01  0.136338D+01
      6   0.405115D+00 -0.298319D+00  0.835309D+01  0.608896D+00  0.624806D+01
               126           127           128           129           130 
      1  -0.259031D+02  0.130174D+02 -0.265033D+01 -0.233507D+01  0.342793D+01
      2  -0.222852D+02  0.347071D+00  0.130479D+02  0.266932D+01  0.592924D+01
      3   0.481883D+02 -0.133644D+02 -0.103975D+02 -0.334257D+00 -0.935717D+01
      4   0.159911D+01  0.183352D+02  0.245369D+02 -0.392885D+01  0.224920D+02
      5  -0.244597D+02 -0.262764D+01 -0.138390D+00  0.920014D+01 -0.175324D+01
      6   0.315294D+01 -0.399220D+01 -0.210465D+00  0.573485D+01 -0.118936D+01
               131           132           133           134           135 
      1   0.772736D+01  0.116897D+02 -0.561611D+01  0.194465D+02  0.482135D+00
      2  -0.505623D+01 -0.162220D+02  0.956555D-02 -0.344218D+02 -0.945037D+01
      3  -0.267113D+01  0.453230D+01  0.560654D+01  0.149753D+02  0.896823D+01
      4   0.987205D+01 -0.819525D+01 -0.113330D+02 -0.204860D+02  0.284136D+01
      5  -0.929772D+01 -0.255106D+00  0.890990D+01 -0.542121D+00 -0.637856D+01
      6  -0.232471D+02  0.495002D+01  0.550596D+01  0.316355D+01 -0.134708D+02
               136           137           138           139           140 
      1   0.208257D+01 -0.375734D+00  0.219748D+01 -0.122271D+01 -0.260050D+01
      2  -0.533570D+01  0.600836D+00 -0.280458D+01  0.226624D+01 -0.182786D+00
      3   0.325313D+01 -0.225103D+00  0.607108D+00 -0.104354D+01  0.278329D+01
      4   0.167822D+01  0.422811D+01  0.383931D+01  0.405702D+01  0.659545D+00
      5   0.600185D+01  0.962832D+00  0.110000D+02 -0.609170D+00  0.308288D+01
      6   0.397439D+01  0.103054D+01  0.297158D+01  0.802608D+00  0.227671D+01
               141           142           143           144           145 
      1  -0.141631D+01  0.109237D+01 -0.291512D+01 -0.166493D+02  0.233676D+02
      2   0.405600D+01 -0.485828D+01  0.397591D+01 -0.208973D+02 -0.141996D+01
      3  -0.263969D+01  0.376591D+01 -0.106079D+01  0.375466D+02 -0.219476D+02
      4   0.243305D+01  0.637578D+01  0.605070D+01  0.284273D+01 -0.414516D+02
      5  -0.248179D+01  0.114408D+02  0.218680D+01  0.255269D+02 -0.463089D+01
      6   0.572569D+01  0.481596D+01  0.702219D+01  0.237131D+02  0.265570D+00
               146           147           148           149           150 
      1  -0.241486D+01  0.131936D+01 -0.345636D+01  0.105045D+01 -0.981167D-01
      2  -0.105165D+02 -0.468429D+00 -0.347340D+01  0.587669D+01 -0.612453D+00
      3   0.129313D+02 -0.850930D+00  0.692976D+01 -0.692714D+01  0.710569D+00
      4   0.238021D+02  0.155490D+01  0.145120D+02 -0.962991D+01 -0.440436D+00
      5   0.241800D+01  0.457957D+01  0.154004D+01 -0.401829D+00 -0.243788D+01
      6  -0.233451D+01 -0.629029D+01 -0.936905D+00  0.685284D+00  0.247666D+01
               151           152           153           154           155 
      1   0.247870D+01 -0.298304D+00  0.108933D+01  0.352121D+02  0.159150D+02
      2  -0.174439D+00 -0.954326D+00 -0.172368D+00 -0.180988D+02 -0.802227D+01
      3  -0.230426D+01  0.125263D+01 -0.916967D+00 -0.171134D+02 -0.789274D+01
      4  -0.399494D+01  0.199935D+01 -0.324769D+01  0.160775D+02  0.159398D+02
      5   0.370676D+01 -0.170580D+01 -0.346575D+00 -0.667278D+01 -0.423143D+01
      6  -0.315754D+01  0.266730D+01  0.136383D+01 -0.120526D+01 -0.734040D+00
               156           157           158           159           160 
      1  -0.573260D+01  0.304362D+02  0.147309D+02 -0.501850D+01 -0.115053D+02
      2   0.274466D+01 -0.159015D+02 -0.542910D+01  0.275109D+01  0.683886D+01
      3   0.298793D+01 -0.145347D+02 -0.930180D+01  0.226741D+01  0.466645D+01
      4  -0.363661D+01  0.185480D+02  0.210075D+02 -0.572620D+01 -0.649438D+01
      5   0.854101D+01 -0.686037D+01 -0.629752D+01  0.719616D+01  0.820130D+01
      6   0.104682D+01 -0.168824D+01 -0.162571D+01  0.983883D+00  0.149881D+01
               161           162           163           164           165 
      1  -0.596716D+01  0.578343D+01 -0.280858D+01  0.890159D+01  0.825001D+00
      2   0.338477D+01 -0.355475D+01  0.406770D+01 -0.136704D+02 -0.198790D+01
      3   0.258239D+01 -0.222868D+01 -0.125912D+01  0.476877D+01  0.116290D+01
      4  -0.740225D+01  0.404816D+01 -0.308336D+01 -0.103318D+01  0.131845D+01
      5   0.480986D+01 -0.427061D+01  0.460207D+00 -0.130745D+01 -0.158850D+01
      6   0.199330D+01 -0.164518D+01  0.172300D+01 -0.190389D+00 -0.130609D+01
               166           167           168           169           170 
      1   0.532617D+01 -0.296911D+02 -0.240865D+01  0.133638D+01 -0.733886D+01
      2  -0.444338D+01  0.516117D+02  0.615803D+01 -0.119905D+01  0.121156D+02
      3  -0.882785D+00 -0.219207D+02 -0.374938D+01 -0.137328D+00 -0.477676D+01
      4   0.737596D+01  0.139661D+02  0.827192D+00  0.218540D+01  0.359365D+01
      5  -0.151150D+01  0.351334D+01  0.341900D+01  0.324038D+00  0.223628D+01
      6  -0.977059D+00  0.744017D+00  0.752532D+01 -0.100514D+01  0.549190D+01
               171           172           173           174           175 
      1  -0.370469D+01  0.362324D+02  0.107186D+02  0.331434D+01  0.152844D+02
      2   0.480159D+01 -0.212776D+02 -0.895954D+01 -0.604968D+01 -0.116782D+02
      3  -0.109690D+01 -0.149548D+02 -0.175906D+01  0.273534D+01 -0.360614D+01
      4   0.728987D+00 -0.437920D+01  0.168048D+02 -0.783789D+01  0.154642D+02
      5   0.345810D+00  0.172701D+02 -0.482642D+01  0.225789D+02 -0.201177D+01
      6   0.187327D+01 -0.481341D+00  0.915725D+01 -0.803275D+01  0.601881D+01
               176           177           178           179           180 
      1   0.152185D+02 -0.621431D+01  0.835164D+01 -0.102282D+02  0.996284D+01
      2  -0.537599D+01  0.293366D+01 -0.801040D+01  0.397979D+01 -0.227861D+02
      3  -0.984255D+01  0.328065D+01 -0.341237D+00  0.624836D+01  0.128233D+02
      4   0.311268D+01  0.228041D+01 -0.890855D+01  0.176766D+00 -0.899939D+01
      5   0.345361D+01  0.581906D+01  0.355183D+02 -0.785518D+01  0.301757D+02
      6   0.467490D+01  0.149699D+01 -0.102023D+02  0.123897D+02 -0.260270D+01
               181           182           183           184           185 
      1   0.360875D+02  0.181736D+02 -0.915568D+01  0.287978D+02  0.149948D+02
      2  -0.201895D+02 -0.101241D+02  0.583117D+01 -0.167172D+02 -0.594834D+01
      3  -0.158980D+02 -0.804956D+01  0.332451D+01 -0.120807D+02 -0.904642D+01
      4   0.161738D+02  0.152687D+02 -0.387141D+01  0.174499D+02  0.223030D+02
      5  -0.139473D+02 -0.651621D+01  0.124349D+02 -0.101278D+02 -0.130624D+02
      6  -0.176666D+01 -0.312794D+01  0.448171D+00 -0.355977D+01 -0.316910D+01
               186           187           188           189           190 
      1  -0.593188D+01 -0.103408D+02 -0.333835D+01  0.773635D+01  0.108863D+02
      2   0.532734D+01  0.734030D+01  0.358745D+01 -0.711857D+01 -0.319392D+01
      3   0.604540D+00  0.300047D+01 -0.249094D+00 -0.617784D+00 -0.769241D+01
      4  -0.105395D+02 -0.371546D+01 -0.854249D+01  0.571115D+01 -0.126891D+02
      5   0.112788D+02  0.149295D+02  0.782319D+01 -0.920818D+01 -0.119870D+02
      6   0.305032D+01  0.846435D+00  0.454198D+01 -0.247386D+01  0.558073D+01
               191           192           193           194           195 
      1  -0.726644D+01 -0.804746D+01 -0.117229D+02  0.227432D+01 -0.161915D+01
      2   0.106682D+01  0.385377D+01  0.133330D+01  0.125283D+02  0.455618D+01
      3   0.619962D+01  0.419370D+01  0.103896D+02 -0.148026D+02 -0.293703D+01
      4   0.151978D+02  0.698621D+01  0.259492D+02 -0.387181D+02 -0.206802D+02
      5   0.653565D+01  0.105077D+02  0.124617D+02 -0.222880D+02 -0.234264D+02
      6  -0.436506D+01 -0.410228D+01 -0.854702D+01  0.188434D+02  0.166965D+02
               196           197           198           199           200 
      1  -0.889059D+01 -0.144304D+01  0.249906D+00 -0.168991D+00  0.508288D+01
      2   0.475388D+01  0.298545D+01 -0.193909D+01  0.220563D+01 -0.585245D+01
      3   0.413671D+01 -0.154241D+01  0.168918D+01 -0.203664D+01  0.769570D+00
      4   0.106933D+02 -0.176792D+02 -0.173238D+02  0.240612D+01  0.437213D+01
      5   0.166636D+02 -0.183606D+02 -0.232631D+02  0.468120D+00  0.230736D+00
      6  -0.710262D+01  0.149610D+02  0.151553D+02  0.189667D+01 -0.225335D+01
               201           202           203           204           205 
      1   0.186329D+01  0.228416D+01 -0.303147D+02 -0.803524D+01  0.132288D+01
      2  -0.178302D+01  0.179193D+01  0.555538D+02  0.138349D+02  0.484699D+00
      3  -0.802709D-01 -0.407609D+01 -0.252391D+02 -0.579970D+01 -0.180758D+01
      4   0.153594D+01  0.921203D+01  0.254633D+02  0.558629D+01  0.453232D+01
      5   0.660476D+00  0.737212D+00  0.795556D+01  0.637108D+01  0.147376D+01
      6  -0.116918D+01  0.103869D+01  0.174745D+02  0.127960D+02  0.107354D+01
               206           207           208           209           210 
      1  -0.167120D+02 -0.859502D+01 -0.151361D+02 -0.114705D+02  0.818915D+01
      2   0.274393D+02  0.121981D+02  0.933733D+01  0.767858D+01 -0.286791D+01
      3  -0.107272D+02 -0.360304D+01  0.579877D+01  0.379188D+01 -0.532124D+01
      4   0.129615D+02  0.569287D+01  0.801148D+00 -0.703794D+01  0.398823D+01
      5   0.753793D+01  0.441392D+01 -0.165330D+01  0.234418D+01 -0.793243D+01
      6   0.166353D+02  0.103341D+02 -0.319145D+01 -0.690003D+01  0.719415D+01
               211           212           213           214           215 
      1  -0.164919D+02 -0.157659D+02  0.956528D+01  0.931309D+01  0.816830D+01
      2   0.100129D+02  0.132005D+02 -0.571036D+01 -0.410518D+01 -0.489604D+01
      3   0.647898D+01  0.256541D+01 -0.385492D+01 -0.520791D+01 -0.327225D+01
      4   0.261376D+00 -0.122311D+02  0.744043D+01  0.469594D+00  0.751150D+01
      5  -0.154584D+01  0.601941D+01 -0.102306D+02  0.143797D+01 -0.348587D+01
      6  -0.364158D+01 -0.114268D+02  0.952419D+01  0.303240D+01  0.751944D+01
               216 
      1  -0.861928D+01
      2   0.225129D+01
      3   0.636798D+01
      4  -0.328391D+01
      5   0.935013D+01
      6  -0.787548D+01
 Leave Link  716 at Wed Mar 16 19:39:06 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.121763D+03  0.164302D+01 -0.146522D+01
      2   0.164302D+01  0.114765D+03 -0.315180D+00
      3  -0.146522D+01 -0.315180D+00  0.991915D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.179760D+01 -0.942817D+01 -0.138197D+01
      2   0.119003D+02 -0.328900D+01  0.151374D+02
      3   0.178385D+01 -0.902466D+01  0.153040D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.210139D+02 -0.143598D+02  0.102719D+02
      2  -0.240366D+02  0.136927D+02  0.882963D+01
      3   0.302262D+01  0.667050D+00 -0.191015D+02
      4  -0.117181D+02 -0.831857D+01 -0.109071D+02
      5  -0.940282D+01 -0.997844D+01  0.315302D+02
      6  -0.817011D+01 -0.937130D+01 -0.304357D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.410845D+01  0.664858D+00  0.957852D-01 -0.344889D+00  0.352025D+01
      2   0.664858D+00  0.419001D+01  0.181251D+00  0.352025D+01 -0.235987D+01
      3   0.957852D-01  0.181251D+00  0.138102D+01  0.669304D+00 -0.183812D+01
                 6             7             8             9            10 
      1   0.669304D+00 -0.432152D+00  0.502567D+00  0.198941D+01  0.606336D+01
      2  -0.183812D+01  0.502567D+00 -0.335159D+01 -0.210925D+01 -0.110957D+01
      3  -0.545924D+00  0.198941D+01 -0.210925D+01  0.104645D+02  0.204144D+00
                11            12            13            14            15 
      1  -0.110957D+01  0.204144D+00 -0.136643D+01 -0.336290D+01 -0.252444D+00
      2  -0.304100D+01 -0.524183D-01 -0.336290D+01 -0.338182D+00  0.105535D+01
      3  -0.524183D-01 -0.325517D+01 -0.252444D+00  0.105535D+01  0.197118D+01
                16            17            18            19            20 
      1   0.160773D+01 -0.483101D+00 -0.176931D+01  0.336553D+01 -0.734157D+00
      2  -0.483101D+00  0.199099D+01  0.129704D+01 -0.734157D+00 -0.363943D+01
      3  -0.176931D+01  0.129704D+01 -0.101138D+02  0.685329D-01  0.608216D+00
                21            22            23            24            25 
      1   0.685329D-01 -0.131261D+01 -0.487017D+01  0.307876D+00  0.939199D+00
      2   0.608216D+00 -0.487017D+01  0.843266D+00  0.196829D+01  0.814976D+00
      3  -0.120736D+01  0.307876D+00  0.196829D+01  0.203849D+01 -0.206454D+01
                26            27            28            29            30 
      1   0.814976D+00 -0.206454D+01 -0.176110D+01  0.259704D+01 -0.570129D+00
      2   0.293431D+01  0.126325D+01  0.259704D+01  0.333433D+01 -0.305300D+00
      3   0.126325D+01 -0.979846D+01 -0.570129D+00 -0.305300D+00  0.672390D+00
                31            32            33            34            35 
      1   0.304880D+01  0.455292D+01  0.806460D+00 -0.253923D+01  0.439848D+00
      2   0.455292D+01 -0.143701D+01 -0.213468D+01  0.439848D+00 -0.297937D+01
      3   0.806460D+00 -0.213468D+01 -0.213002D+01  0.564224D+00 -0.791508D+00
                36            37            38            39            40 
      1   0.564224D+00  0.651607D+01 -0.204941D+01 -0.409825D+00 -0.398945D+01
      2  -0.791508D+00 -0.204941D+01  0.145378D+00 -0.432681D+00 -0.121255D+01
      3   0.982898D+01 -0.409825D+00 -0.432681D+00 -0.514650D+00 -0.303389D+00
                41            42            43            44            45 
      1  -0.121255D+01 -0.303389D+00  0.305170D+01  0.688983D+00  0.166395D+00
      2  -0.458558D+01  0.899041D+00  0.688983D+00  0.191926D+01 -0.692994D+00
      3   0.899041D+00  0.102888D+01  0.166395D+00 -0.692994D+00 -0.146397D+01
                46            47            48            49            50 
      1  -0.613144D+01 -0.713167D+00  0.484511D+00  0.175462D+01  0.308829D+01
      2  -0.713167D+00  0.953714D+00  0.790138D+00  0.308829D+01 -0.797749D+00
      3   0.484511D+00  0.790138D+00  0.168386D+01 -0.252983D+00 -0.128191D+01
                51            52            53            54            55 
      1  -0.252983D+00 -0.117637D+01 -0.356486D-02  0.229406D+01  0.599041D+01
      2  -0.128191D+01 -0.356486D-02 -0.232885D+01 -0.612691D+00 -0.477845D+00
      3  -0.270860D+01  0.229406D+01 -0.612691D+00  0.994878D+01  0.977723D+00
                56            57            58            59            60 
      1  -0.477845D+00  0.977723D+00  0.407571D+00 -0.141429D+01 -0.517790D+00
      2   0.917515D+00  0.145542D+00 -0.141429D+01  0.799852D+01  0.216816D+01
      3   0.145542D+00  0.813844D+00 -0.517790D+00  0.216816D+01 -0.142072D+00
                61            62            63            64            65 
      1   0.220291D+01 -0.119460D+01 -0.968032D+00 -0.162185D+00  0.290331D-01
      2  -0.119460D+01  0.380219D+01  0.243018D+01  0.290331D-01 -0.111686D+01
      3  -0.968032D+00  0.243018D+01  0.655902D+00 -0.134245D+01  0.187162D+00
                66            67            68            69            70 
      1  -0.134245D+01  0.314654D+00 -0.878810D+00  0.146105D+00 -0.245509D+01
      2   0.187162D+00 -0.878810D+00  0.983135D+00 -0.119519D+01  0.362290D+00
      3  -0.110550D+01  0.146105D+00 -0.119519D+01  0.972887D+00 -0.126970D+01
                71            72            73            74            75 
      1   0.362290D+00 -0.126970D+01 -0.792480D+01  0.287899D+01 -0.417884D+00
      2  -0.217002D+01  0.138073D+01  0.287899D+01  0.122288D+01 -0.793267D+00
      3   0.138073D+01 -0.901805D+01 -0.417884D+00 -0.793267D+00  0.147066D+01
                76            77            78            79            80 
      1   0.602807D+01  0.429854D+00 -0.896731D+00 -0.350432D+01 -0.863882D+00
      2   0.429854D+00  0.406615D+01 -0.129401D+01 -0.863882D+00 -0.191232D+01
      3  -0.896731D+00 -0.129401D+01  0.842218D+00 -0.108637D+01  0.452284D+00
                81            82            83            84            85 
      1  -0.108637D+01 -0.217128D+00  0.771563D-01  0.133531D+01 -0.113957D+00
      2   0.452284D+00  0.771563D-01  0.719033D+00 -0.234954D-01  0.710243D+00
      3  -0.970725D-01  0.133531D+01 -0.234954D-01  0.961831D+00 -0.345834D-01
                86            87            88            89            90 
      1   0.710243D+00 -0.345834D-01  0.229616D+01  0.130335D+00  0.154895D+00
      2  -0.575207D+00  0.104470D+01  0.130335D+00  0.189653D+01 -0.805201D+00
      3   0.104470D+01 -0.111452D+01  0.154895D+00 -0.805201D+00  0.969660D+01
                91            92            93            94            95 
      1   0.538668D+00 -0.245959D+00  0.134507D+01 -0.891584D-02  0.114480D+01
      2  -0.245959D+00  0.123759D+01 -0.561348D-02  0.114480D+01 -0.445824D+00
      3   0.134507D+01 -0.561348D-02  0.102233D+01  0.259669D-01  0.972922D+00
                96            97            98            99           100 
      1   0.259669D-01  0.259126D+01 -0.243568D+00  0.145444D+01  0.495722D+01
      2   0.972922D+00 -0.243568D+00  0.208423D+01 -0.137122D+00  0.248596D+01
      3  -0.201729D+00  0.145444D+01 -0.137122D+00  0.878693D+01 -0.144713D+01
               101           102           103           104           105 
      1   0.248596D+01 -0.144713D+01  0.907206D+00  0.442688D+01  0.607224D-02
      2   0.525025D+01  0.366240D-01  0.442688D+01 -0.843730D+00 -0.205571D+01
      3   0.366240D-01  0.576422D+00  0.607224D-02 -0.205571D+01 -0.150527D+01
               106           107           108           109           110 
      1  -0.213330D+01 -0.758262D+00  0.177010D+01  0.255416D+01 -0.284348D+01
      2  -0.758262D+00 -0.415490D+01  0.980257D+00 -0.284348D+01 -0.295529D+01
      3   0.177010D+01  0.980257D+00 -0.647481D+00  0.167560D+01  0.111371D+00
               111           112           113           114           115 
      1   0.167560D+01 -0.229720D+01 -0.523037D+01 -0.325073D+00  0.283650D+01
      2   0.111371D+00 -0.523037D+01  0.203835D+01  0.494939D+01 -0.571385D+00
      3  -0.900236D+00 -0.325073D+00  0.494939D+01  0.213932D+01 -0.439826D+01
               116           117           118           119           120 
      1  -0.571385D+00 -0.439826D+01  0.375012D+00 -0.247527D+00 -0.157377D+01
      2   0.501800D+01  0.292463D+01 -0.247527D+00 -0.567825D+00  0.755371D-01
      3   0.292463D+01 -0.102606D+01 -0.157377D+01  0.755371D-01 -0.411232D+00
               121           122           123           124           125 
      1  -0.207912D+00 -0.537489D+00 -0.262953D+00 -0.234501D+01 -0.332336D+00
      2  -0.537489D+00  0.678554D+00 -0.119727D+01 -0.332336D+00 -0.166473D+01
      3  -0.262953D+00 -0.119727D+01  0.648772D+00  0.552586D+00  0.458118D+00
               126           127           128           129           130 
      1   0.552586D+00 -0.287651D+01 -0.229114D+01  0.940746D+00 -0.165210D+01
      2   0.458118D+00 -0.229114D+01 -0.244938D+01 -0.683249D-01 -0.216708D+01
      3  -0.104968D+02  0.940746D+00 -0.683249D-01 -0.169484D+00  0.156304D+00
               131           132           133           134           135 
      1  -0.216708D+01  0.156304D+00  0.236472D+01  0.855861D+00 -0.128522D+01
      2   0.157395D+01  0.305100D+01  0.855861D+00  0.660985D+01  0.871342D-01
      3   0.305100D+01  0.202109D+01 -0.128522D+01  0.871342D-01  0.140645D+01
               136           137           138           139           140 
      1  -0.455158D+00 -0.945680D-01 -0.160037D+01 -0.859099D-01 -0.740846D+00
      2  -0.945680D-01 -0.451733D+00 -0.379475D+00 -0.740846D+00  0.291549D-01
      3  -0.160037D+01 -0.379475D+00 -0.109553D+01  0.936968D-01 -0.103969D+01
               141           142           143           144           145 
      1   0.936968D-01 -0.290306D+01 -0.581797D+00 -0.179664D+01 -0.830126D+01
      2  -0.103969D+01 -0.581797D+00 -0.173995D+01 -0.602008D+00  0.337358D+01
      3   0.490021D+00 -0.179664D+01 -0.602008D+00 -0.944260D+01  0.257970D+00
               146           147           148           149           150 
      1   0.337358D+01  0.257970D+00  0.223640D+01 -0.155152D+01 -0.137674D+00
      2  -0.380668D+01 -0.486155D+00 -0.155152D+01  0.171137D+01  0.275704D-01
      3  -0.486155D+00 -0.153857D+01 -0.137674D+00  0.275704D-01  0.764568D+00
               151           152           153           154           155 
      1  -0.834271D+00  0.275837D+00 -0.543560D+00 -0.564424D+01 -0.254804D+01
      2   0.275837D+00 -0.405653D+00  0.409760D+00 -0.254804D+01 -0.256897D+01
      3  -0.543560D+00  0.409760D+00  0.343373D+00  0.814635D+00  0.596920D+00
               156           157           158           159           160 
      1   0.814635D+00 -0.508594D+01 -0.266782D+01  0.832993D+00  0.214213D+01
      2   0.596920D+00 -0.266782D+01 -0.359263D+01  0.853134D+00  0.111412D+01
      3  -0.146675D+01  0.832993D+00  0.853134D+00 -0.114749D+01 -0.110472D+01
               161           162           163           164           165 
      1   0.111412D+01 -0.110472D+01 -0.102023D+01  0.647055D+00  0.428964D+00
      2   0.136000D+01 -0.613971D+00  0.647055D+00 -0.230344D+01 -0.219050D+00
      3  -0.613971D+00  0.633882D+00  0.428964D+00 -0.219050D+00 -0.283637D+00
               166           167           168           169           170 
      1   0.207689D+01 -0.115287D+00 -0.294747D+00  0.769587D+00 -0.110600D+00
      2  -0.115287D+00  0.898486D+01  0.767307D+00 -0.110600D+00  0.215760D+01
      3  -0.294747D+00  0.767307D+00  0.176181D+01 -0.132227D+00  0.899645D+00
               171           172           173           174           175 
      1  -0.132227D+00  0.440181D+01  0.101384D+01  0.183740D+01  0.221876D+01
      2   0.899645D+00  0.101384D+01  0.236396D+01 -0.134501D+01  0.233249D+01
      3   0.247415D+00  0.183740D+01 -0.134501D+01  0.260275D+01 -0.652849D+00
               176           177           178           179           180 
      1   0.233249D+01 -0.652849D+00  0.155385D+01 -0.893870D+00  0.430117D+01
      2   0.190270D+01 -0.901607D-01 -0.893870D+00 -0.101905D+01 -0.835914D+00
      3  -0.901607D-01  0.189309D+01  0.430117D+01 -0.835914D+00  0.393981D+01
               181           182           183           184           185 
      1   0.493017D+01  0.273782D+01 -0.152541D+01  0.450830D+01  0.278162D+01
      2   0.273782D+01  0.228742D+01 -0.603670D+00  0.278162D+01  0.391306D+01
      3  -0.152541D+01 -0.603670D+00  0.144768D+01 -0.904015D+00 -0.179639D+01
               186           187           188           189           190 
      1  -0.904015D+00 -0.194796D+01 -0.586905D+00  0.173435D+01  0.179504D+01
      2  -0.179639D+01 -0.586905D+00 -0.151376D+01  0.990524D+00 -0.149357D+01
      3   0.156550D+01  0.173435D+01  0.990524D+00 -0.119406D+01 -0.160919D+01
               191           192           193           194           195 
      1  -0.149357D+01 -0.160919D+01 -0.305145D+01  0.353619D+01  0.145086D+01
      2   0.163702D+01  0.665427D+00  0.353619D+01 -0.658035D+01 -0.348399D+01
      3   0.665427D+00  0.103491D+01  0.145086D+01 -0.348399D+01 -0.369169D+01
               196           197           198           199           200 
      1  -0.236065D+01  0.139680D+01  0.200034D+01 -0.322088D+00 -0.605803D+00
      2   0.139680D+01 -0.313007D+01 -0.292291D+01 -0.605803D+00  0.566173D+00
      3   0.200034D+01 -0.292291D+01 -0.376299D+01 -0.249973D+00  0.229631D+00
               201           202           203           204           205 
      1  -0.249973D+00 -0.148626D+01 -0.814339D+00 -0.461540D-01 -0.871555D+00
      2   0.229631D+00 -0.814339D+00 -0.984052D+01 -0.218445D+01 -0.373060D+00
      3   0.109566D+00 -0.461540D-01 -0.218445D+01 -0.229346D+01 -0.120228D+00
               206           207           208           209           210 
      1  -0.373060D+00 -0.120228D+00 -0.256284D+01 -0.105109D+01  0.279729D+00
      2  -0.535401D+01 -0.229189D+01 -0.105109D+01 -0.192468D+01  0.108665D+01
      3  -0.229189D+01 -0.151374D+01  0.279729D+00  0.108665D+01 -0.182916D+01
               211           212           213           214           215 
      1  -0.249827D+01 -0.960054D+00  0.385749D+00  0.114724D+01  0.415314D+00
      2  -0.960054D+00 -0.332640D+01  0.183470D+01  0.415314D+00  0.195131D+01
      3   0.385749D+00  0.183470D+01 -0.265705D+01 -0.443168D+00 -0.115809D+01
               216 
      1  -0.443168D+00
      2  -0.115809D+01
      3   0.262248D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.243967D-01  0.157241D+00 -0.289301D+01 -0.117382D+01  0.877739D+00
      2  -0.110574D+00 -0.418264D+00 -0.347535D+00  0.563899D+00  0.221154D+01
      3  -0.212522D+01 -0.280991D+00 -0.582746D-01  0.453859D+01  0.141961D+01
                 6             7             8             9            10 
      1   0.225610D+01 -0.170515D+01  0.515677D+01 -0.833413D+01 -0.470742D+00
      2   0.158527D+01 -0.410739D+01  0.925921D+00 -0.619285D+01 -0.191440D+01
      3  -0.514318D+00  0.106759D+00 -0.225813D+01  0.363318D+00 -0.259117D+01
                11            12            13            14            15 
      1  -0.173719D+01 -0.847233D+00  0.387942D+00  0.208805D+00 -0.215430D+01
      2  -0.100346D+01  0.242401D+01 -0.244244D+00 -0.163421D+01 -0.313652D+01
      3  -0.551698D+01  0.170932D-02  0.267139D-01  0.342081D+00  0.189574D+01
                16            17            18            19            20 
      1  -0.113190D+01  0.389155D+01 -0.152711D+01  0.240754D+00 -0.272874D+00
      2  -0.105674D+01 -0.181451D+01  0.131867D+02 -0.355892D+00  0.114302D+01
      3  -0.707369D+00  0.258935D+01  0.228849D+01  0.265192D+01 -0.104035D+01
                21            22            23            24            25 
      1   0.334010D+01 -0.131794D+00 -0.209599D+01 -0.189070D+01  0.294731D+01
      2   0.703794D+00 -0.145222D+01  0.823302D+00 -0.848181D+00 -0.445236D+01
      3  -0.598539D+00  0.470604D+01 -0.530076D+01 -0.269576D+01  0.178846D+00
                26            27            28            29            30 
      1   0.156849D+01  0.722203D+01 -0.221719D+01 -0.780395D+00  0.159272D+01
      2   0.327418D+00 -0.404085D+01 -0.711847D+01  0.341876D+01 -0.392355D+00
      3  -0.109109D+01 -0.294642D+01 -0.769268D+01 -0.953078D+01 -0.330542D+00
                31            32            33            34            35 
      1  -0.785621D+00  0.572650D+00  0.252903D+01  0.295071D+00  0.434601D+01
      2   0.203484D+01 -0.141258D+01 -0.433743D+01 -0.445355D+01  0.322644D+00
      3  -0.694421D+01  0.201183D+01  0.385619D+01  0.819647D+00  0.340686D+01
                36            37            38            39            40 
      1  -0.272233D+00  0.147087D+01 -0.190481D+00 -0.208222D+01  0.147026D+01
      2   0.142349D+02  0.375329D+01 -0.674346D+00  0.111779D+02 -0.196469D+01
      3   0.194159D+01 -0.859011D+01 -0.536665D+01  0.129661D+00  0.169789D+02
                41            42            43            44            45 
      1   0.256455D+01 -0.691612D+01  0.199868D+01  0.276468D+01  0.103503D+01
      2  -0.114126D+01  0.202974D+01 -0.607915D+01 -0.133812D+01 -0.180886D+00
      3   0.527797D+01 -0.488193D+00 -0.352199D+01 -0.155766D+01 -0.302552D+00
                46            47            48            49            50 
      1   0.851507D+00 -0.575319D+00  0.249491D+01 -0.990815D+00 -0.328867D+01
      2  -0.315804D+01 -0.138312D+01 -0.743047D+01  0.397790D-01  0.301194D+01
      3   0.699485D+01  0.561382D+01 -0.253838D+00  0.160316D+01 -0.598218D+00
                51            52            53            54            55 
      1  -0.599941D-01  0.630643D+00  0.168618D+01  0.947457D+01 -0.274933D+01
      2   0.138633D+01 -0.662375D+01 -0.975510D+00 -0.108990D+02 -0.652025D+01
      3  -0.232224D+01  0.104335D+01 -0.181962D+01 -0.350636D+01  0.177804D+02
                56            57            58            59            60 
      1   0.857234D+00 -0.696468D+00  0.225731D+01 -0.291391D+01 -0.728200D+01
      2   0.323826D+01  0.207603D+01  0.121119D+01 -0.314859D+01 -0.148846D+01
      3  -0.450299D+01  0.840452D+00  0.530805D+01  0.759521D+01  0.968964D+00
                61            62            63            64            65 
      1   0.665227D+00  0.968894D+00 -0.389362D+01  0.136616D+01  0.406396D+00
      2  -0.446030D+01 -0.166338D+01 -0.193185D+01  0.101058D+01 -0.434276D+00
      3   0.492662D+01  0.297870D+01  0.110120D+01 -0.262967D+00 -0.188468D+01
                66            67            68            69            70 
      1   0.917727D+00  0.100922D+00  0.136039D+01 -0.158300D+01  0.104523D+01
      2   0.202094D+01 -0.209031D-01  0.514099D+00 -0.346569D+00 -0.341842D+01
      3  -0.123174D+01  0.901704D+00 -0.168420D+00 -0.876878D+00 -0.295815D+01
                71            72            73            74            75 
      1   0.336898D+01  0.103189D+02  0.532028D+00 -0.331316D-01  0.806504D+00
      2  -0.665243D+00  0.732242D+01  0.518320D+01  0.290623D+01  0.505589D+01
      3  -0.181133D+01 -0.110580D+00  0.109225D+02 -0.294408D+01 -0.281366D+01
                76            77            78            79            80 
      1  -0.147835D+01  0.107314D+01 -0.243474D+01  0.101237D+01  0.327570D+01
      2   0.270681D+01  0.370998D+01 -0.398074D+01 -0.242738D+01 -0.202312D+01
      3   0.808746D+01  0.171717D+02 -0.347836D+01 -0.270150D+01 -0.680925D+01
                81            82            83            84            85 
      1  -0.467274D-01  0.281130D+00  0.891216D+00  0.255630D+00  0.478462D+00
      2   0.281546D+01 -0.291595D+01  0.103294D+00 -0.111551D+01  0.590130D+00
      3   0.160161D+01  0.173526D+00 -0.120595D+00 -0.209909D+00  0.194499D+01
                86            87            88            89            90 
      1  -0.312708D+00 -0.146321D+01  0.207668D+00  0.406202D+01  0.110732D+01
      2  -0.179171D+01  0.151843D+01 -0.509828D+01  0.972479D+00 -0.139116D+02
      3  -0.696286D+00  0.156207D+01 -0.400401D+00  0.258014D+01 -0.592102D+00
                91            92            93            94            95 
      1  -0.199605D+01  0.865786D+00 -0.125973D+01  0.421673D+00 -0.147548D+01
      2   0.167545D+00  0.548337D+00  0.832955D+00  0.965969D+00  0.123728D+00
      3   0.125356D+01 -0.224656D+01  0.146374D+01  0.232792D+00  0.988491D+00
                96            97            98            99           100 
      1  -0.225678D+00 -0.208210D+01  0.437790D+01 -0.880152D+01  0.239512D+01
      2   0.106764D+00 -0.395478D+01  0.324829D+00  0.487996D+01 -0.171006D+00
      3  -0.696122D+00  0.267030D+01 -0.209826D+01  0.150315D+01  0.936662D+01
               101           102           103           104           105 
      1  -0.240264D+01 -0.418838D+01 -0.117691D+01  0.748895D+01 -0.199653D+01
      2  -0.340732D+00  0.536860D+01  0.134806D+01 -0.122656D+01  0.140510D+01
      3  -0.110938D+02 -0.258089D+01 -0.596711D+00  0.108397D+02  0.351122D+01
               106           107           108           109           110 
      1  -0.300818D+01  0.514990D+01  0.363397D+01  0.363682D+01  0.141259D+01
      2  -0.184743D+01  0.104124D+01 -0.177624D+01  0.968292D+01 -0.285520D+01
      3  -0.536860D+01  0.532533D+01  0.204346D+01  0.795237D+01  0.900756D+01
               111           112           113           114           115 
      1  -0.160455D+01  0.211998D+01  0.195087D+01 -0.434672D+01 -0.217501D+01
      2   0.184388D+00 -0.333405D+01  0.106110D+02  0.648522D+01 -0.993284D+01
      3  -0.130744D+01  0.201065D+02 -0.223684D+01 -0.123659D+02 -0.381835D+00
               116           117           118           119           120 
      1  -0.356144D+01 -0.293532D+01 -0.195929D-01  0.124957D+01  0.320812D+00
      2   0.705537D+01 -0.621970D+01 -0.282625D+01 -0.314080D+00 -0.605774D+00
      3  -0.117560D+02 -0.515495D+01  0.396670D+00  0.154125D+00  0.287395D+00
               121           122           123           124           125 
      1   0.279496D+00 -0.152847D+01 -0.105014D+00  0.285921D+00  0.511446D+01
      2  -0.884762D-01 -0.236432D+01  0.961296D+00 -0.613399D+01  0.411154D+00
      3   0.260481D+01 -0.168400D+01  0.182379D+01  0.650141D+00  0.256358D+01
               126           127           128           129           130 
      1  -0.164564D+01  0.148454D+01  0.388817D+00 -0.272481D+01  0.162899D+01
      2  -0.142416D+02 -0.251138D+01 -0.445322D+00  0.514329D+01  0.282434D+00
      3  -0.187545D+01  0.461585D+01 -0.599165D+01 -0.216462D+01  0.606121D+01
               131           132           133           134           135 
      1   0.126767D+02 -0.195695D+01 -0.128180D+01  0.733941D+01  0.738938D+01
      2  -0.551991D+01 -0.772209D-01 -0.102890D+01 -0.612019D+00 -0.374356D+01
      3   0.668803D+01  0.481782D+01 -0.584766D+01  0.983642D+01  0.328887D+01
               136           137           138           139           140 
      1  -0.206808D+01  0.555357D-01 -0.974471D+00  0.716134D+00 -0.157252D+01
      2   0.139037D+01  0.524679D+00  0.175579D+01  0.697264D+00  0.755453D+00
      3   0.929386D+00 -0.194770D+01  0.192678D+01  0.111232D+00  0.160793D+01
               141           142           143           144           145 
      1   0.388145D+00 -0.990938D+00  0.506223D+01 -0.101372D+02  0.129275D+01
      2  -0.112055D+01 -0.361881D+01  0.206595D-01  0.107188D+02  0.539975D+01
      3  -0.117282D+01  0.365562D+01 -0.189686D+01  0.260716D+01 -0.195842D+02
               146           147           148           149           150 
      1  -0.795101D+00  0.360600D+01 -0.241700D+00  0.507555D+00 -0.144805D+01
      2  -0.169088D+01  0.325390D+01 -0.131254D+01  0.803075D+00 -0.119794D+01
      3   0.938407D+00 -0.133674D+00  0.343177D+01 -0.226268D+01 -0.532995D+00
               151           152           153           154           155 
      1   0.141740D+01 -0.345714D+00 -0.409895D+00  0.841332D-01  0.124031D+00
      2   0.918237D+00 -0.854613D+00 -0.205257D-01 -0.275517D+01 -0.210088D+01
      3  -0.231370D+01 -0.198105D+00 -0.699507D+00 -0.828315D+01 -0.916056D+01
               156           157           158           159           160 
      1  -0.761097D+00  0.481330D+00 -0.847254D+00 -0.870778D+00 -0.312832D+00
      2   0.468680D+01 -0.296574D+01 -0.307777D+01  0.434511D+01  0.255272D+01
      3   0.214478D+01 -0.781860D+01 -0.147266D+02  0.291317D+01  0.358844D+01
               161           162           163           164           165 
      1   0.712945D+00  0.387656D+00 -0.187981D+01  0.236767D+01  0.167254D+01
      2   0.210089D+01 -0.187488D+01  0.248730D+00 -0.110194D+00 -0.607912D+00
      3   0.488731D+01 -0.192187D+01 -0.607626D+01  0.590002D+01  0.212545D+01
               166           167           168           169           170 
      1   0.150574D+01 -0.713248D+01 -0.578376D+01  0.796668D+00 -0.283104D+01
      2  -0.544300D-01  0.621016D+00  0.149903D+01 -0.108773D+01  0.919740D+00
      3   0.765393D+01 -0.154122D+02 -0.251040D+01  0.334940D+01 -0.416456D+01
               171           172           173           174           175 
      1  -0.145946D+01  0.267065D+01  0.307258D+01  0.202175D+01  0.109316D+01
      2   0.412347D+00 -0.131324D+00 -0.654016D+01  0.141481D+02 -0.509286D+01
      3  -0.188956D+01 -0.875300D+01 -0.115085D+02  0.319025D+01 -0.684830D+01
               176           177           178           179           180 
      1   0.386435D+01 -0.406732D+01  0.860134D+00  0.548292D+01  0.570373D+01
      2  -0.264569D+01  0.544362D+01  0.568877D+01  0.349837D+00  0.138572D+02
      3  -0.663825D+01  0.912735D+00  0.218187D+01  0.169314D+01 -0.116634D+01
               181           182           183           184           185 
      1  -0.263861D+01 -0.207398D+01 -0.141480D+00 -0.223848D+01 -0.390155D+01
      2  -0.116290D+01 -0.215887D+00  0.477900D+01  0.875158D+00 -0.354497D+01
      3  -0.926774D+01 -0.953213D+01  0.260817D+01 -0.817541D+01 -0.150230D+02
               186           187           188           189           190 
      1   0.405229D+00  0.721211D+00  0.288905D+01 -0.911736D+00  0.993317D-01
      2   0.511662D+01  0.226864D+01  0.252744D+01 -0.218971D+01 -0.313821D+01
      3   0.565395D+01  0.222470D+01  0.504552D+01 -0.363417D+01  0.240128D+01
               191           192           193           194           195 
      1  -0.111812D+01  0.943171D+00 -0.148627D+01  0.353018D+01 -0.281464D+01
      2   0.111779D+01  0.272829D+01  0.640036D+00 -0.708231D+01 -0.103826D+02
      3  -0.492452D+01 -0.872132D+00 -0.443675D+01  0.159971D+02  0.827109D+01
               196           197           198           199           200 
      1   0.512965D+00  0.163516D+01 -0.161883D+01 -0.207438D+00  0.994867D+00
      2   0.176672D+01 -0.704425D+01 -0.932131D+01  0.801383D+00 -0.115027D+00
      3  -0.118405D+01  0.772647D+01  0.662249D+01 -0.100245D+01  0.177404D+01
               201           202           203           204           205 
      1   0.788335D+00 -0.322958D+00 -0.837076D+01 -0.731109D+01 -0.295697D+00
      2   0.489241D-01 -0.437970D+00  0.346882D+01  0.328245D+01 -0.658454D+00
      3   0.106053D+01  0.383288D+01 -0.141324D+02 -0.383516D+01  0.228101D+01
               206           207           208           209           210 
      1  -0.694879D+01 -0.496380D+01 -0.213456D+01 -0.286430D+01 -0.586771D+00
      2   0.348222D+01  0.224000D+01  0.641863D+01  0.548378D+01 -0.629269D+01
      3  -0.781638D+01 -0.364689D+01  0.796907D+01  0.682175D+01 -0.306619D+01
               211           212           213           214           215 
      1  -0.218128D+01 -0.307841D+01 -0.464272D+00  0.408011D+00  0.221749D+01
      2   0.501255D+01  0.793597D+01 -0.824872D+01 -0.363760D+01 -0.461174D+01
      3   0.757205D+01  0.976041D+01 -0.542971D+01 -0.229144D+01 -0.535560D+01
               216 
      1   0.527173D+00
      2   0.760874D+01
      3   0.408543D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.659334D+01 -0.827133D+01 -0.687120D+00 -0.476456D+01  0.881748D+01
      2  -0.212227D+01  0.123162D+02  0.108141D-01  0.770158D+01 -0.192284D+02
      3  -0.447107D+01 -0.404492D+01  0.676306D+00 -0.293702D+01  0.104110D+02
      4  -0.165638D+01 -0.673038D+01 -0.490715D-01 -0.124797D+02  0.106870D+02
      5   0.175839D+01 -0.201101D+01 -0.471796D+01 -0.480217D+01  0.152870D+01
      6   0.169023D+01  0.270921D+01  0.741282D+01  0.335415D+01 -0.907395D+01
                 6             7             8             9            10 
      1   0.411801D+01  0.192041D+01  0.530559D+01  0.872107D+01 -0.337683D+02
      2  -0.180330D+01  0.277873D+01 -0.141773D+02  0.437948D+01  0.184764D+02
      3  -0.231471D+01 -0.469914D+01  0.887168D+01 -0.131005D+02  0.152919D+02
      4   0.270888D+01 -0.260318D+01  0.652758D+01  0.747317D+01  0.539407D+01
      5   0.459027D+01 -0.430473D+01  0.450897D+01 -0.195350D+02 -0.227534D+01
      6  -0.115484D+02  0.594267D+01 -0.766009D+01  0.241271D+02 -0.563338D+00
                11            12            13            14            15 
      1  -0.243736D+00  0.283111D+01  0.384557D+01  0.972815D+01 -0.358940D+00
      2   0.303016D+01  0.256294D+01 -0.222743D+01 -0.300171D+01 -0.121985D+01
      3  -0.278642D+01 -0.539405D+01 -0.161815D+01 -0.672644D+01  0.157879D+01
      4  -0.154927D+01 -0.157113D+00  0.889946D+01  0.203605D+00 -0.238370D+01
      5  -0.452286D+00 -0.215910D+01  0.142776D+01 -0.132384D+01 -0.588362D+01
      6  -0.279041D+00  0.217926D+01 -0.126579D+01  0.398526D+00  0.169576D+00
                16            17            18            19            20 
      1  -0.610027D+01  0.178564D+01  0.168955D+02 -0.363159D+01  0.616495D+01
      2   0.378656D+01 -0.490188D+01  0.536823D+01  0.699093D+00 -0.119656D+02
      3   0.231372D+01  0.311624D+01 -0.222638D+02  0.293250D+01  0.580060D+01
      4   0.298266D+01 -0.349461D+01 -0.348985D+01 -0.328792D+01 -0.104671D+02
      5   0.578101D+01 -0.370610D+01  0.284452D+02  0.135920D+01  0.365223D+01
      6   0.627962D+00 -0.176255D+00  0.610017D+01 -0.337252D+00  0.421993D+01
                21            22            23            24            25 
      1  -0.210570D+01  0.131360D+01 -0.271047D+01 -0.472250D+01  0.247090D+01
      2   0.380932D+00 -0.756867D+01 -0.174160D+01  0.239596D+01  0.416201D+01
      3   0.172477D+01  0.625506D+01  0.445207D+01  0.232654D+01 -0.663291D+01
      4   0.123848D+01 -0.161850D+02 -0.839109D+01  0.179176D+01  0.502541D+01
      5  -0.595713D+01  0.269175D+01  0.406205D+01 -0.103084D+01 -0.371343D+01
      6  -0.793522D+01  0.309929D+01  0.594804D+01 -0.415087D+01 -0.451980D+01
                26            27            28            29            30 
      1  -0.139334D+01  0.398688D+00 -0.180969D+02  0.947489D+01 -0.885945D+00
      2   0.612216D+01  0.957945D+01  0.923084D+01 -0.106105D+02  0.130125D+01
      3  -0.472882D+01 -0.997814D+01  0.886602D+01  0.113560D+01 -0.415302D+00
      4   0.759577D+01 -0.170419D+01 -0.206234D+01 -0.228934D+01 -0.629424D+00
      5   0.680059D+00 -0.134825D+02 -0.168778D+01 -0.154438D+01 -0.283071D+01
      6   0.725613D+00 -0.186677D+02 -0.249478D+00 -0.199102D+01 -0.198064D+01
                31            32            33            34            35 
      1   0.384827D+01  0.147515D+02 -0.451847D+01 -0.454086D+01 -0.113117D+01
      2  -0.293453D+01 -0.151269D+02 -0.389658D+01  0.167097D+01 -0.663750D+00
      3  -0.913739D+00  0.375355D+00  0.841504D+01  0.286989D+01  0.179492D+01
      4  -0.489536D+01 -0.103668D+02 -0.588408D+01  0.443252D+01 -0.318919D+01
      5   0.129051D+01 -0.863358D+01 -0.936477D+01  0.572761D+00 -0.258119D+01
      6  -0.435608D+01  0.418837D+01 -0.323520D+01 -0.169208D+01  0.726547D+00
                36            37            38            39            40 
      1   0.220787D+02  0.174504D+02 -0.197982D+01  0.212260D+01 -0.268763D+00
      2   0.156806D+02 -0.113353D+02  0.109509D+01 -0.111968D+01  0.121479D+01
      3  -0.377593D+02 -0.611519D+01  0.884736D+00 -0.100292D+01 -0.946031D+00
      4  -0.321237D+01 -0.955330D+01  0.179179D+02  0.104902D+00  0.173332D+02
      5   0.242536D+02  0.226714D+01  0.466352D+00  0.219169D+02 -0.162223D+01
      6   0.175128D+00  0.152330D+01  0.309676D+00  0.625754D+01  0.987720D+00
                41            42            43            44            45 
      1  -0.167085D+02  0.392278D+01  0.398525D+01  0.281515D+01 -0.770775D+01
      2   0.241913D+02  0.151438D+01 -0.468109D+01 -0.377487D+01 -0.457807D+01
      3  -0.748285D+01 -0.543717D+01  0.695845D+00  0.959720D+00  0.122858D+02
      4  -0.829683D-01  0.692404D+00 -0.691593D+01 -0.849862D+00 -0.203932D+01
      5   0.188835D+01  0.346002D+01  0.688441D+01 -0.157562D+01  0.983180D+00
      6  -0.909871D+00  0.927435D+01 -0.138010D+01  0.734150D+01 -0.102232D-01
                46            47            48            49            50 
      1  -0.158632D+02  0.473560D+01  0.264389D+01 -0.554280D+01 -0.107606D+01
      2   0.135922D+02 -0.661749D+01  0.729642D+00 -0.342711D+01 -0.769537D+01
      3   0.227102D+01  0.188189D+01 -0.337353D+01  0.896991D+01  0.877142D+01
      4   0.635312D+01 -0.190066D+02 -0.238100D+01 -0.204312D+02 -0.104423D+02
      5   0.146707D+01 -0.168280D+00 -0.208920D+02  0.239789D+01  0.212934D+01
      6  -0.118676D+01  0.157320D+01 -0.991260D+01  0.589592D+00  0.586861D+01
                51            52            53            54            55 
      1  -0.409112D+01  0.518062D+01 -0.421768D+01  0.706914D+01 -0.136470D+02
      2  -0.565348D+00  0.324862D+01  0.772242D+01  0.181336D+02  0.312501D+01
      3   0.465647D+01 -0.842925D+01 -0.350475D+01 -0.252028D+02  0.105220D+02
      4   0.298959D+01  0.245306D+01  0.559414D+01 -0.144619D+01  0.263572D+02
      5   0.175993D+01 -0.859398D+01 -0.956260D-02 -0.249328D+02 -0.732230D+00
      6  -0.580214D+01 -0.460123D+01 -0.204555D+00 -0.229794D+02  0.449549D+01
                56            57            58            59            60 
      1   0.437830D+01 -0.180346D+01  0.484556D+01 -0.299963D+02 -0.847366D+01
      2  -0.118360D+01  0.247211D+01 -0.645826D+01  0.485223D+02  0.645770D+01
      3  -0.319470D+01 -0.668648D+00  0.161270D+01 -0.185260D+02  0.201596D+01
      4   0.395245D+00  0.309903D+01  0.106017D+02 -0.215024D+02 -0.599300D+01
      5   0.569425D-01  0.587161D+01  0.268216D+01 -0.418091D+01 -0.216752D+01
      6  -0.129678D+01  0.274511D+00 -0.329739D+01  0.148225D+02  0.155387D+02
                61            62            63            64            65 
      1  -0.277659D+01 -0.111096D+02 -0.119388D+02  0.117082D+01  0.111234D+01
      2  -0.111559D+01  0.166607D+02  0.249251D+01 -0.362420D+01 -0.185985D+01
      3   0.389218D+01 -0.555104D+01  0.944625D+01  0.245338D+01  0.747510D+00
      4   0.107176D+02 -0.117008D+02 -0.643414D+01 -0.169451D+01  0.417216D+01
      5   0.803138D+01 -0.596295D+01 -0.425528D+01  0.465523D+01 -0.131918D+01
      6  -0.408613D+01  0.191689D+02  0.963186D+01 -0.409215D+01  0.472372D+00
                66            67            68            69            70 
      1   0.191599D+01  0.109320D+01 -0.437787D+01  0.347319D+01  0.172146D+01
      2  -0.287100D+01 -0.177079D+01  0.362851D+01 -0.303906D+01 -0.304957D+01
      3   0.955014D+00  0.677592D+00  0.749362D+00 -0.434125D+00  0.132811D+01
      4  -0.366414D+01  0.388965D+01 -0.324262D+01  0.291101D+01 -0.551874D+01
      5   0.951209D+01 -0.299650D+00  0.277842D+01 -0.191665D+01  0.760289D+01
      6  -0.279072D+01  0.103091D+01 -0.447597D+01  0.899542D+01 -0.415094D+01
                71            72            73            74            75 
      1   0.517906D+01 -0.145277D+02  0.538670D+02 -0.173301D+02  0.362329D+01
      2  -0.436515D+01 -0.130245D+02 -0.323588D+02  0.830533D+01 -0.347235D+01
      3  -0.813912D+00  0.275522D+02 -0.215081D+02  0.902477D+01 -0.150934D+00
      4   0.484658D+01 -0.490907D+01 -0.208524D+02  0.464072D+01  0.414165D+01
      5  -0.314840D+01  0.205787D+02  0.757567D+01  0.524945D+01  0.107971D+02
      6   0.865419D+01 -0.269603D+02  0.833138D+00  0.595897D+00 -0.190031D+01
                76            77            78            79            80 
      1  -0.348371D+02 -0.937281D+01  0.487438D+01  0.204190D+02  0.481151D+01
      2   0.190472D+02  0.905638D+01 -0.261801D+01 -0.114311D+02 -0.226688D+01
      3   0.157899D+02  0.316427D+00 -0.225637D+01 -0.898788D+01 -0.254463D+01
      4  -0.115850D+01 -0.228997D+02  0.749973D+01  0.445706D+01  0.983051D+01
      5   0.626378D+01  0.855300D+01 -0.622417D+01  0.126672D+02 -0.400987D+01
      6   0.199351D+01  0.195819D+01  0.555528D+01 -0.117459D+01  0.405689D+01
                81            82            83            84            85 
      1   0.104129D+01  0.879554D+00  0.177697D+00 -0.634699D+01  0.562952D+00
      2  -0.767896D+01 -0.395714D+01 -0.584288D-01  0.102426D+01 -0.302393D+00
      3   0.663767D+01  0.307758D+01 -0.119268D+00  0.532273D+01 -0.260558D+00
      4  -0.377122D+01 -0.354624D+00  0.341551D+00 -0.193840D+00  0.192142D+00
      5   0.443663D+01 -0.240073D+01 -0.344514D+00  0.385658D+01 -0.222498D+00
      6   0.680706D+00 -0.757980D+00  0.501860D+00 -0.580435D+00  0.200762D+00
                86            87            88            89            90 
      1  -0.562367D+01  0.219597D+01 -0.899243D+01  0.177427D+01 -0.206722D+02
      2   0.101126D+01  0.176806D+00  0.401247D+01  0.723947D+00 -0.164460D+02
      3   0.461241D+01 -0.237278D+01  0.497996D+01 -0.249822D+01  0.371182D+02
      4   0.159659D+01 -0.269258D+01 -0.941778D+00 -0.469901D+01  0.191462D+01
      5  -0.305009D+01  0.258339D+01  0.474161D+01  0.252084D+01 -0.263882D+02
      6  -0.181529D+01  0.825717D+01 -0.168314D+00  0.515973D+01 -0.536688D+01
                91            92            93            94            95 
      1   0.255557D+01 -0.245770D+01  0.197148D+01 -0.195176D+01 -0.583027D+00
      2  -0.405005D+01  0.324662D+01 -0.190020D+01  0.241940D+01 -0.132558D+01
      3   0.149448D+01 -0.788924D+00 -0.712767D-01 -0.467633D+00  0.190861D+01
      4   0.416065D+00  0.368069D+01  0.135047D+01  0.416407D+01  0.575640D+00
      5   0.400114D+01 -0.873132D+00  0.712432D+01 -0.393037D+00  0.237152D+01
      6   0.224104D+01 -0.777994D-01  0.225059D+01  0.464279D+00  0.135734D+01
                96            97            98            99           100 
      1  -0.145176D+01  0.215735D+01 -0.328096D+01 -0.109491D+02  0.154042D+02
      2   0.236039D+01 -0.411321D+01  0.568626D+01 -0.155816D+02 -0.364442D+01
      3  -0.908630D+00  0.195587D+01 -0.240530D+01  0.265307D+02 -0.117598D+02
      4   0.274212D+01  0.315689D+01  0.388196D+01  0.119962D+01  0.237903D+02
      5   0.312950D-01  0.716891D+01 -0.521669D+00  0.163146D+02 -0.496746D+01
      6   0.510755D+01  0.273133D+01  0.377681D+01  0.176980D+02 -0.647431D+01
               101           102           103           104           105 
      1  -0.999401D+01 -0.866695D+00 -0.331048D+01  0.965609D+01  0.778014D+01
      2   0.236760D+02  0.330608D+01  0.133732D+02 -0.873980D+01 -0.899183D+01
      3  -0.136820D+02 -0.243938D+01 -0.100627D+02 -0.916291D+00  0.121168D+01
      4   0.266110D+02 -0.444733D+01  0.231701D+02  0.149509D+02 -0.424590D+01
      5  -0.120691D+01  0.113471D+02 -0.139848D+01 -0.800406D+01  0.169178D+01
      6  -0.317948D+01  0.719833D+01 -0.243641D+01 -0.119118D+02  0.919155D+01
               106           107           108           109           110 
      1  -0.304909D+01  0.119328D+02 -0.360932D+01  0.915572D+01 -0.177161D+02
      2   0.886853D+00 -0.187436D+02 -0.394457D+01 -0.677331D+01  0.138693D+02
      3   0.216224D+01  0.681086D+01  0.755389D+01 -0.238241D+01  0.384681D+01
      4  -0.926227D+01 -0.111920D+02  0.731833D+01 -0.146846D+02 -0.167057D+02
      5   0.106906D+02  0.400394D+01 -0.398529D+01  0.823122D+01  0.263734D+01
      6   0.874179D+01  0.117717D+02 -0.847008D+01 -0.611265D+00  0.539962D+01
               111           112           113           114           115 
      1   0.849502D+01 -0.185987D+02 -0.204468D+02  0.627802D+01  0.649203D+01
      2  -0.160688D+01  0.144260D+02  0.550199D+01 -0.100998D+02 -0.203164D+01
      3  -0.688814D+01  0.417270D+01  0.149448D+02  0.382181D+01 -0.446039D+01
      4   0.246483D-01 -0.282851D+02  0.128790D+02  0.274412D+02  0.793782D+00
      5  -0.108784D+02  0.220031D+01  0.319735D+02  0.145814D+02 -0.363805D+02
      6   0.321340D+01  0.104450D+02 -0.116016D+02 -0.117400D+02  0.945803D+01
               116           117           118           119           120 
      1   0.706420D+01 -0.147598D+02  0.150881D+01 -0.474175D+00 -0.529889D+01
      2  -0.611930D+01  0.844493D+01 -0.487564D+01  0.412407D+00  0.102151D+01
      3  -0.944900D+00  0.631490D+01  0.336683D+01  0.617683D-01  0.427738D+01
      4   0.214847D+02  0.184910D+02 -0.390441D+00  0.167488D+01  0.129928D+01
      5   0.174367D+02 -0.578373D+01 -0.339813D+01  0.707115D-01  0.621915D+01
      6  -0.212101D+02 -0.379808D+01  0.685869D+00  0.970341D+00 -0.181503D+00
               121           122           123           124           125 
      1   0.685574D-02 -0.619175D+01  0.671208D+00 -0.545321D+01  0.130088D+01
      2  -0.422288D+00  0.118861D+01  0.183597D+01  0.577287D+01  0.111139D+01
      3   0.415432D+00  0.500314D+01 -0.250718D+01 -0.319655D+00 -0.241227D+01
      4   0.162573D+01  0.187308D+01 -0.202844D+01  0.141284D+01 -0.281921D+01
      5  -0.535420D+00 -0.276976D+01  0.263706D+01  0.800890D+01  0.136338D+01
      6   0.405115D+00 -0.298319D+00  0.835309D+01  0.608896D+00  0.624806D+01
               126           127           128           129           130 
      1  -0.259031D+02  0.130174D+02 -0.265033D+01 -0.233507D+01  0.342793D+01
      2  -0.222852D+02  0.347071D+00  0.130479D+02  0.266932D+01  0.592924D+01
      3   0.481883D+02 -0.133644D+02 -0.103975D+02 -0.334257D+00 -0.935717D+01
      4   0.159911D+01  0.183352D+02  0.245369D+02 -0.392885D+01  0.224920D+02
      5  -0.244597D+02 -0.262764D+01 -0.138390D+00  0.920014D+01 -0.175324D+01
      6   0.315294D+01 -0.399220D+01 -0.210465D+00  0.573485D+01 -0.118936D+01
               131           132           133           134           135 
      1   0.772736D+01  0.116897D+02 -0.561611D+01  0.194465D+02  0.482135D+00
      2  -0.505623D+01 -0.162220D+02  0.956555D-02 -0.344218D+02 -0.945037D+01
      3  -0.267113D+01  0.453230D+01  0.560654D+01  0.149753D+02  0.896823D+01
      4   0.987205D+01 -0.819525D+01 -0.113330D+02 -0.204860D+02  0.284136D+01
      5  -0.929772D+01 -0.255106D+00  0.890990D+01 -0.542121D+00 -0.637856D+01
      6  -0.232471D+02  0.495002D+01  0.550596D+01  0.316355D+01 -0.134708D+02
               136           137           138           139           140 
      1   0.208257D+01 -0.375734D+00  0.219748D+01 -0.122271D+01 -0.260050D+01
      2  -0.533570D+01  0.600836D+00 -0.280458D+01  0.226624D+01 -0.182786D+00
      3   0.325313D+01 -0.225103D+00  0.607108D+00 -0.104354D+01  0.278329D+01
      4   0.167822D+01  0.422811D+01  0.383931D+01  0.405702D+01  0.659545D+00
      5   0.600185D+01  0.962832D+00  0.110000D+02 -0.609170D+00  0.308288D+01
      6   0.397439D+01  0.103054D+01  0.297158D+01  0.802608D+00  0.227671D+01
               141           142           143           144           145 
      1  -0.141631D+01  0.109237D+01 -0.291512D+01 -0.166493D+02  0.233676D+02
      2   0.405600D+01 -0.485828D+01  0.397591D+01 -0.208973D+02 -0.141996D+01
      3  -0.263969D+01  0.376591D+01 -0.106079D+01  0.375466D+02 -0.219476D+02
      4   0.243305D+01  0.637578D+01  0.605070D+01  0.284273D+01 -0.414516D+02
      5  -0.248179D+01  0.114408D+02  0.218680D+01  0.255269D+02 -0.463089D+01
      6   0.572569D+01  0.481596D+01  0.702219D+01  0.237131D+02  0.265570D+00
               146           147           148           149           150 
      1  -0.241486D+01  0.131936D+01 -0.345636D+01  0.105045D+01 -0.981167D-01
      2  -0.105165D+02 -0.468429D+00 -0.347340D+01  0.587669D+01 -0.612453D+00
      3   0.129313D+02 -0.850930D+00  0.692976D+01 -0.692714D+01  0.710569D+00
      4   0.238021D+02  0.155490D+01  0.145120D+02 -0.962991D+01 -0.440436D+00
      5   0.241800D+01  0.457957D+01  0.154004D+01 -0.401829D+00 -0.243788D+01
      6  -0.233451D+01 -0.629029D+01 -0.936905D+00  0.685284D+00  0.247666D+01
               151           152           153           154           155 
      1   0.247870D+01 -0.298304D+00  0.108933D+01  0.352121D+02  0.159150D+02
      2  -0.174439D+00 -0.954326D+00 -0.172368D+00 -0.180988D+02 -0.802227D+01
      3  -0.230426D+01  0.125263D+01 -0.916967D+00 -0.171134D+02 -0.789274D+01
      4  -0.399494D+01  0.199935D+01 -0.324769D+01  0.160775D+02  0.159398D+02
      5   0.370676D+01 -0.170580D+01 -0.346575D+00 -0.667278D+01 -0.423143D+01
      6  -0.315754D+01  0.266730D+01  0.136383D+01 -0.120526D+01 -0.734040D+00
               156           157           158           159           160 
      1  -0.573260D+01  0.304362D+02  0.147309D+02 -0.501850D+01 -0.115053D+02
      2   0.274466D+01 -0.159015D+02 -0.542910D+01  0.275109D+01  0.683886D+01
      3   0.298793D+01 -0.145347D+02 -0.930180D+01  0.226741D+01  0.466645D+01
      4  -0.363661D+01  0.185480D+02  0.210075D+02 -0.572620D+01 -0.649438D+01
      5   0.854101D+01 -0.686037D+01 -0.629752D+01  0.719616D+01  0.820130D+01
      6   0.104682D+01 -0.168824D+01 -0.162571D+01  0.983883D+00  0.149881D+01
               161           162           163           164           165 
      1  -0.596716D+01  0.578343D+01 -0.280858D+01  0.890159D+01  0.825001D+00
      2   0.338477D+01 -0.355475D+01  0.406770D+01 -0.136704D+02 -0.198790D+01
      3   0.258239D+01 -0.222868D+01 -0.125912D+01  0.476877D+01  0.116290D+01
      4  -0.740225D+01  0.404816D+01 -0.308336D+01 -0.103318D+01  0.131845D+01
      5   0.480986D+01 -0.427061D+01  0.460207D+00 -0.130745D+01 -0.158850D+01
      6   0.199330D+01 -0.164518D+01  0.172300D+01 -0.190389D+00 -0.130609D+01
               166           167           168           169           170 
      1   0.532617D+01 -0.296911D+02 -0.240865D+01  0.133638D+01 -0.733886D+01
      2  -0.444338D+01  0.516117D+02  0.615803D+01 -0.119905D+01  0.121156D+02
      3  -0.882785D+00 -0.219207D+02 -0.374938D+01 -0.137328D+00 -0.477676D+01
      4   0.737596D+01  0.139661D+02  0.827192D+00  0.218540D+01  0.359365D+01
      5  -0.151150D+01  0.351334D+01  0.341900D+01  0.324038D+00  0.223628D+01
      6  -0.977059D+00  0.744017D+00  0.752532D+01 -0.100514D+01  0.549190D+01
               171           172           173           174           175 
      1  -0.370469D+01  0.362324D+02  0.107186D+02  0.331434D+01  0.152844D+02
      2   0.480159D+01 -0.212776D+02 -0.895954D+01 -0.604968D+01 -0.116782D+02
      3  -0.109690D+01 -0.149548D+02 -0.175906D+01  0.273534D+01 -0.360614D+01
      4   0.728987D+00 -0.437920D+01  0.168048D+02 -0.783789D+01  0.154642D+02
      5   0.345810D+00  0.172701D+02 -0.482642D+01  0.225789D+02 -0.201177D+01
      6   0.187327D+01 -0.481341D+00  0.915725D+01 -0.803275D+01  0.601881D+01
               176           177           178           179           180 
      1   0.152185D+02 -0.621431D+01  0.835164D+01 -0.102282D+02  0.996284D+01
      2  -0.537599D+01  0.293366D+01 -0.801040D+01  0.397979D+01 -0.227861D+02
      3  -0.984255D+01  0.328065D+01 -0.341237D+00  0.624836D+01  0.128233D+02
      4   0.311268D+01  0.228041D+01 -0.890855D+01  0.176766D+00 -0.899939D+01
      5   0.345361D+01  0.581906D+01  0.355183D+02 -0.785518D+01  0.301757D+02
      6   0.467490D+01  0.149699D+01 -0.102023D+02  0.123897D+02 -0.260270D+01
               181           182           183           184           185 
      1   0.360875D+02  0.181736D+02 -0.915568D+01  0.287978D+02  0.149948D+02
      2  -0.201895D+02 -0.101241D+02  0.583117D+01 -0.167172D+02 -0.594834D+01
      3  -0.158980D+02 -0.804956D+01  0.332451D+01 -0.120807D+02 -0.904642D+01
      4   0.161738D+02  0.152687D+02 -0.387141D+01  0.174499D+02  0.223030D+02
      5  -0.139473D+02 -0.651621D+01  0.124349D+02 -0.101278D+02 -0.130624D+02
      6  -0.176666D+01 -0.312794D+01  0.448171D+00 -0.355977D+01 -0.316910D+01
               186           187           188           189           190 
      1  -0.593188D+01 -0.103408D+02 -0.333835D+01  0.773635D+01  0.108863D+02
      2   0.532734D+01  0.734030D+01  0.358745D+01 -0.711857D+01 -0.319392D+01
      3   0.604540D+00  0.300047D+01 -0.249094D+00 -0.617784D+00 -0.769241D+01
      4  -0.105395D+02 -0.371546D+01 -0.854249D+01  0.571115D+01 -0.126891D+02
      5   0.112788D+02  0.149295D+02  0.782319D+01 -0.920818D+01 -0.119870D+02
      6   0.305032D+01  0.846435D+00  0.454198D+01 -0.247386D+01  0.558073D+01
               191           192           193           194           195 
      1  -0.726644D+01 -0.804746D+01 -0.117229D+02  0.227432D+01 -0.161915D+01
      2   0.106682D+01  0.385377D+01  0.133330D+01  0.125283D+02  0.455618D+01
      3   0.619962D+01  0.419370D+01  0.103896D+02 -0.148026D+02 -0.293703D+01
      4   0.151978D+02  0.698621D+01  0.259492D+02 -0.387181D+02 -0.206802D+02
      5   0.653565D+01  0.105077D+02  0.124617D+02 -0.222880D+02 -0.234264D+02
      6  -0.436506D+01 -0.410228D+01 -0.854702D+01  0.188434D+02  0.166965D+02
               196           197           198           199           200 
      1  -0.889059D+01 -0.144304D+01  0.249906D+00 -0.168991D+00  0.508288D+01
      2   0.475388D+01  0.298545D+01 -0.193909D+01  0.220563D+01 -0.585245D+01
      3   0.413671D+01 -0.154241D+01  0.168918D+01 -0.203664D+01  0.769570D+00
      4   0.106933D+02 -0.176792D+02 -0.173238D+02  0.240612D+01  0.437213D+01
      5   0.166636D+02 -0.183606D+02 -0.232631D+02  0.468120D+00  0.230736D+00
      6  -0.710262D+01  0.149610D+02  0.151553D+02  0.189667D+01 -0.225335D+01
               201           202           203           204           205 
      1   0.186329D+01  0.228416D+01 -0.303147D+02 -0.803524D+01  0.132288D+01
      2  -0.178302D+01  0.179193D+01  0.555538D+02  0.138349D+02  0.484699D+00
      3  -0.802709D-01 -0.407609D+01 -0.252391D+02 -0.579970D+01 -0.180758D+01
      4   0.153594D+01  0.921203D+01  0.254633D+02  0.558629D+01  0.453232D+01
      5   0.660476D+00  0.737212D+00  0.795556D+01  0.637108D+01  0.147376D+01
      6  -0.116918D+01  0.103869D+01  0.174745D+02  0.127960D+02  0.107354D+01
               206           207           208           209           210 
      1  -0.167120D+02 -0.859502D+01 -0.151361D+02 -0.114705D+02  0.818915D+01
      2   0.274393D+02  0.121981D+02  0.933733D+01  0.767858D+01 -0.286791D+01
      3  -0.107272D+02 -0.360304D+01  0.579877D+01  0.379188D+01 -0.532124D+01
      4   0.129615D+02  0.569287D+01  0.801148D+00 -0.703794D+01  0.398823D+01
      5   0.753793D+01  0.441392D+01 -0.165330D+01  0.234418D+01 -0.793243D+01
      6   0.166353D+02  0.103341D+02 -0.319145D+01 -0.690003D+01  0.719415D+01
               211           212           213           214           215 
      1  -0.164919D+02 -0.157659D+02  0.956528D+01  0.931309D+01  0.816830D+01
      2   0.100129D+02  0.132005D+02 -0.571036D+01 -0.410518D+01 -0.489604D+01
      3   0.647898D+01  0.256541D+01 -0.385492D+01 -0.520791D+01 -0.327225D+01
      4   0.261376D+00 -0.122311D+02  0.744043D+01  0.469594D+00  0.751150D+01
      5  -0.154584D+01  0.601941D+01 -0.102306D+02  0.143797D+01 -0.348587D+01
      6  -0.364158D+01 -0.114268D+02  0.952419D+01  0.303240D+01  0.751944D+01
               216 
      1  -0.861928D+01
      2   0.225129D+01
      3   0.636798D+01
      4  -0.328391D+01
      5   0.935013D+01
      6  -0.787548D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.187234D+01      0.475900D+01      0.158743D+02
   x         -0.132696D+01     -0.337281D+01     -0.112505D+02
   y         -0.917078D+00     -0.233098D+01     -0.777531D+01
   z         -0.950671D+00     -0.241637D+01     -0.806013D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119693D+03      0.177367D+02      0.197347D+02
   aniso      0.167846D+02      0.248722D+01      0.276740D+01
   xx         0.127409D+03      0.188801D+02      0.210069D+02
   yx         0.283209D+01      0.419673D+00      0.466949D+00
   yy         0.121811D+03      0.180505D+02      0.200839D+02
   zx        -0.233453D+01     -0.345942D+00     -0.384913D+00
   zy        -0.256793D+00     -0.380529D-01     -0.423395D-01
   zz         0.109858D+03      0.162793D+02      0.181132D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.111906D+03      0.165828D+02      0.184509D+02
   aniso      0.203795D+02      0.301992D+01      0.336012D+01
   xx         0.121763D+03      0.180434D+02      0.200760D+02
   yx         0.164302D+01      0.243470D+00      0.270897D+00
   yy         0.114765D+03      0.170064D+02      0.189221D+02
   zx        -0.146522D+01     -0.217123D+00     -0.241582D+00
   zy        -0.315180D+00     -0.467049D-01     -0.519662D-01
   zz         0.991915D+02      0.146987D+02      0.163545D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.30858932         -2.38213118          0.11112544
     6         -2.33440204         -0.32943311          1.83216983
     6          0.37758865         -1.26326876         -1.92462610
     6          2.42339518          0.38946417         -0.73304315
     8          1.27459621          2.26777433          0.83318019
     6         -0.15724731          1.24861777          2.86357868
     8         -3.27691562         -3.72878232         -1.13616830
     1         -0.18130984         -3.69497968          1.25444812
     8         -3.69621263         -1.54026214          3.80321579
     1         -3.57256997          0.92830329          0.74795605
     1         -0.77982890         -0.08601489         -3.17300851
     8          1.59354419         -3.20030207         -3.33585154
     6          4.00944964          1.80344563         -2.65962670
     1          3.68110311         -0.81102348          0.39921983
     8         -1.18420063          3.23728958          4.24637005
     1          1.08053381          0.07446880          4.04602312
     1         -4.31151596         -4.52415928          0.13767655
     1         -4.43862019         -0.24787755          4.85430332
     1          0.30057894         -4.37221485         -3.87010105
     8          2.54355041          3.47936124         -4.16645258
     1          4.88803552          0.45561124         -3.94148190
     1          5.50040302          2.83052078         -1.65833384
     1          0.09429777          3.94124085          5.33957420
     1          1.64282847          4.58532858         -3.02809269

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.187234D+01      0.475900D+01      0.158743D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.187234D+01      0.475900D+01      0.158743D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119693D+03      0.177367D+02      0.197347D+02
   aniso      0.167846D+02      0.248722D+01      0.276740D+01
   xx         0.119550D+03      0.177155D+02      0.197112D+02
   yx         0.276472D+01      0.409689D+00      0.455840D+00
   yy         0.117829D+03      0.174604D+02      0.194273D+02
   zx        -0.791111D+01     -0.117230D+01     -0.130437D+01
   zy         0.446279D+01      0.661317D+00      0.735814D+00
   zz         0.121700D+03      0.180340D+02      0.200656D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.111906D+03      0.165828D+02      0.184509D+02
   aniso      0.203795D+02      0.301992D+01      0.336012D+01
   xx         0.110832D+03      0.164237D+02      0.182738D+02
   yx         0.508026D+01      0.752817D+00      0.837622D+00
   yy         0.110693D+03      0.164029D+02      0.182507D+02
   zx        -0.956619D+01     -0.141756D+01     -0.157725D+01
   zy         0.414592D+01      0.614362D+00      0.683570D+00
   zz         0.114194D+03      0.169219D+02      0.188281D+02

 ----------------------------------------------------------------------
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 LIFE IS SO UNCERTAIN - EAT DESSERT FIRST.
 Job cpu time:       0 days  3 hours 10 minutes 29.1 seconds.
 Elapsed time:       0 days  0 hours 23 minutes 55.1 seconds.
 File lengths (MBytes):  RWF=    402 Int=      0 D2E=      0 Chk=     20 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 19:39:06 2022.
